68197 <common-name>Benzeneethanol, 4-nitro-, acetate (ester)</common-name> <description nil="true"/> <cas>104-30-3</cas> <pubchem-id>7698</pubchem-id> <chemical-formula>C10H11N1O4</chemical-formula> <weight>209.2</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">2026-04-03T11:55:40Z</created-at> <updated-at type="dateTime">2026-08-17T22:55:35Z</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>CC(=O)OCCC1=CC=C(C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C10H11N1O4</moldb-formula> <moldb-inchi>InChI=1S/C10H11NO4/c1-8(12)15-7-6-9-2-4-10(5-3-9)11(13)14/h2-5H,6-7H2,1H3</moldb-inchi> <moldb-inchikey>PZCUSZBIRGTJPZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">209.201</moldb-average-mass> <moldb-mono-mass type="decimal">209.068808</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>7412</chemspider-id> <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>CHEM064090</chemdb-id> <dsstox-id>DTXSID5059294</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023292</susdat-id> <iupac>2-(4-nitrophenyl)ethyl acetate</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>Nitrobenzenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0119044</sync-id> <structure-inchikey>PZCUSZBIRGTJPZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000010000000000000000000000000000000000000001280000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000100001000000000400040000000010000000202000000000000000000000000000000000000000000400010040040000000000000000000000000000000001000000000001000000020000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000220000000000000420000000000000040000000000400000000001000000000000001000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������`������@(������@h�������@h�������@(������@h�������@h������� *������� *���ÿ����(�����������(��� �����������h���h�� h� h� �h� � � ��(���h�B������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:09Z</structure-indexed-at> </compound>