Chem
J-GLOBAL ID：200907004423178499   Nikkaji number：J2.737E

Benzo(a)pyren-3-ol

ベンゾ[a]ピレン-3-オール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H12O
Molecular formula furigana： C20-H12-O
Molecular weight： 268.315
InChI： InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
InChI key： SPUUWWRWIAEPDB-UHFFFAOYSA-N
SMILES： Oc1ccc2ccc3c4ccccc4cc4ccc1c2c34
Systematic name  (4)：
  • 3-ヒドロキシベンゾ[a]ピレン
  • ベンゾ[a]ピレン-3-オール
  • ペンタシクロ[10.6.2.02,7.09,19.016,20]イコサ-1(18),2,4,6,8,10,12,14,16,19-デカエン-13-オール
  • pentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,8,10,12,14,16,19-decaen-13-ol
Other name (3)：
  • Benzo[a]pyren-3-ol
  • 3-HOBP
  • 3-Hydroxybenzo[a]pyrene
CAS registry number： 13345-21-6
Regulation number (1)：
  • DJ8225000
KEGG COMPOUND： C14461
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