<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">295180</id>
  <title nil="true"/>
  <common-name>6-methylbenzo[c]chromene-6-carbonitrile</common-name>
  <description>6-methylbenzo[c]chromene-6-carbonitrile belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C15H11NO and an average molecular weight of 221.25 g/mol.</description>
  <cas>83358-49-0</cas>
  <pubchem-id>3068341</pubchem-id>
  <chemical-formula>C15H11NO</chemical-formula>
  <weight>221.25</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-28T11:07:04Z</created-at>
  <updated-at type="dateTime">2026-08-28T11:07:04Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1(C2=CC=CC=C2C3=CC=CC=C3O1)C#N</moldb-smiles>
  <moldb-formula>C15H11NO</moldb-formula>
  <moldb-inchi>InChI=1S/C15H11NO/c1-15(10-16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)17-15/h2-9H,1H3</moldb-inchi>
  <moldb-inchikey>YLGSBQPQENHHDS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">221.084064</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM291073</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>6-methylbenzo[c]chromene-6-carbonitrile</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Benzopyrans</klass>
  <subklass>1-benzopyrans</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0246638</sync-id>
  <structure-inchikey>YLGSBQPQENHHDS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2008000000000000000000000000000000000000000000000100000000000000000000000000080800020000000000000000000000000000200000000000000000000000000000040000000000000000080000000000000000048000000800000000000000000000000000100000000000000000020200000000000000000000000088000000000000080000800004000000001200000000000000000000000000000100000000000000020000000000200000000000000000000000000000040000000400000000000000000080000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� �����@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@h�������@h�������@h�������@(�������(�������(�������(��������������h���h���h���h���h��� �	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:06:36Z</structure-indexed-at>
</compound>
