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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 6-(HYDROXYMETHYL)BENZO(A)PYRENE

SMILES

OCC1=C2C=CC3=C4C(C=CC(C5=CC=CC=C15)=C24)=CC=C3

InChI

InChIKey=FJQLVOHCPDYIFE-UHFFFAOYSA-N
InChI=1S/C21H14O/c22-12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/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 Mon Mar 31 19:16:20 GMT 2025
Edited
by admin
on Mon Mar 31 19:16:20 GMT 2025
Record UNII
9L76EWQ6Q3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(HYDROXYMETHYL)BENZO(A)PYRENE
Systematic Name English
BENZO(A)PYREN-6-YLMETHANOL
Preferred Name English
HYDROXYMETHYLBENZO(A)PYRENE, 6-
Systematic Name English
6-HYDROXYMETHYLBENZO(A)PYRENE
Common Name English
Code System Code Type Description
PUBCHEM
30544
Created by admin on Mon Mar 31 19:16:20 GMT 2025 , Edited by admin on Mon Mar 31 19:16:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID70175491
Created by admin on Mon Mar 31 19:16:20 GMT 2025 , Edited by admin on Mon Mar 31 19:16:20 GMT 2025
PRIMARY
CAS
21247-98-3
Created by admin on Mon Mar 31 19:16:20 GMT 2025 , Edited by admin on Mon Mar 31 19:16:20 GMT 2025
PRIMARY
FDA UNII
9L76EWQ6Q3
Created by admin on Mon Mar 31 19:16:20 GMT 2025 , Edited by admin on Mon Mar 31 19:16:20 GMT 2025
PRIMARY
Related Record Type Details
METABOLITE -> PARENT