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Details

Stereochemistry ACHIRAL
Molecular Formula C21H14O
Molecular Weight 282.3353
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 12-Hydroxymethylbenzo(a)pyrene

SMILES

OCC1=CC2=C3C(C=CC4=C3C1=CC=C4)=CC5=CC=CC=C25

InChI

InChIKey=QFZVPWWLRDQHEP-UHFFFAOYSA-N
InChI=1S/C21H14O/c22-12-16-11-19-17-6-2-1-4-14(17)10-15-9-8-13-5-3-7-18(16)20(13)21(15)19/h1-11,22H,12H2

HIDE SMILES / InChI

Molecular Formula C21H14O
Molecular Weight 282.3353
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:51 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:51 GMT 2023
Record UNII
GGJ63PP5Z6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
12-Hydroxymethylbenzo(a)pyrene
Systematic Name English
Benzo[a]pyrene-12-methanol
Systematic Name English
Code System Code Type Description
FDA UNII
GGJ63PP5Z6
Created by admin on Sat Dec 16 08:39:51 GMT 2023 , Edited by admin on Sat Dec 16 08:39:51 GMT 2023
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EPA CompTox
DTXSID80241510
Created by admin on Sat Dec 16 08:39:51 GMT 2023 , Edited by admin on Sat Dec 16 08:39:51 GMT 2023
PRIMARY
PUBCHEM
125163
Created by admin on Sat Dec 16 08:39:51 GMT 2023 , Edited by admin on Sat Dec 16 08:39:51 GMT 2023
PRIMARY
CAS
94500-43-3
Created by admin on Sat Dec 16 08:39:51 GMT 2023 , Edited by admin on Sat Dec 16 08:39:51 GMT 2023
PRIMARY