128067 <common-name>Phenol, 2-(4,5-dimethyl-1,3-dioxolan-2-yl)-, methylcarbamate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>23507</pubchem-id> <chemical-formula>C13H17N1O4</chemical-formula> <weight>251.28</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">2026-04-06T12:04:02Z</created-at> <updated-at type="dateTime">2026-08-28T01:24:53Z</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>CC1C(OC(O1)C2=CC=CC=C2OC(=O)NC)C</moldb-smiles> <moldb-formula>C13H17N1O4</moldb-formula> <moldb-inchi>InChI=1S/C13H17NO4/c1-8-9(2)17-12(16-8)10-6-4-5-7-11(10)18-13(15)14-3/h4-9,12H,1-3H3,(H,14,15)</moldb-inchi> <moldb-inchikey>KHOCVCJZJLCLGP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">251.115758</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM123960</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00122834</susdat-id> <iupac>[2-(4,5-dimethyl-1,3-dioxolan-2-yl)phenyl] N-methylcarbamate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenyl methylcarbamates</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0103408</sync-id> <structure-inchikey>KHOCVCJZJLCLGP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000040000010000000000000000000000000000000000000000000000000000000000000000000002080000000010000002000000004000000000001000000000000000000000000000000000000000000000000000010100000004000000080000008000000008000000000010000000000000000000000000004000000200000000008000000200002000000000000000000000000000000000000000000000000000004000000000000000000004000020a000000000000000000000000000040004080000440000000000020000000000000004000</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�B������������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:48:19Z</structure-indexed-at> </compound>