2-Hydroxybenzo(a)pyrene


2-Hydroxybenzo(a)pyrene
DEDuCT identifierDED000336
Pubchem identifier42027
CAS identifier56892-30-9
IUPAC name2-Hydroxybenzo(a)pyrene
Category based on type of supporting evidenceCategory III
Broad category based on environmental sourceIntermediates
Sub-category based on environmental sourceIndustrial Intermediates
Chemical kingdomOrganic compounds
Chemical super-classBenzenoids
Chemical classPyrenes
SMILESC1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC(=CC(=C54)C=C3)O
InChIInChI=1S/C20H12O/c21-16-10-14-6-5-13-9-12-3-1-2-4-17(12)18-8-7-15(11-16)19(14)20(13)18/h1-11,21H
InChIKeyKAXJMEFTXJWMLE-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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