HYDROXYBENZO(A)PYRENE, 3-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H12O
Molecular Weight	268.3087
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HYDROXYBENZO(A)PYRENE, 3-

Structure Search

SMILES

OC1=C2C=CC3=CC4=C(C=CC=C4)C5=CC=C(C=C1)C2=C35

InChI

InChIKey=SPUUWWRWIAEPDB-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C20H12O
Molecular Weight	268.3087
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 19:24:36 GMT 2025` Edited by `admin` on `Mon Mar 31 19:24:36 GMT 2025`
Record UNII	672ICH1Q4L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-OH-BAP

Preferred Name

English

HYDROXYBENZO(A)PYRENE, 3-

Systematic Name

English

BENZO(A)PYREN-3-OL

Systematic Name

English

3-HYDROXY BENZO(A)PYRENE

Systematic Name

English

BENZO(PQR)TETRAPHEN-3-OL

Systematic Name

English

Code System Code Type Description

PUBCHEM

25890

Created by admin on Mon Mar 31 19:24:36 GMT 2025 , Edited by admin on Mon Mar 31 19:24:36 GMT 2025

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MESH

C021338

Created by admin on Mon Mar 31 19:24:36 GMT 2025 , Edited by admin on Mon Mar 31 19:24:36 GMT 2025

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FDA UNII

672ICH1Q4L

Created by admin on Mon Mar 31 19:24:36 GMT 2025 , Edited by admin on Mon Mar 31 19:24:36 GMT 2025

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EPA CompTox

DTXSID7038319

Created by admin on Mon Mar 31 19:24:36 GMT 2025 , Edited by admin on Mon Mar 31 19:24:36 GMT 2025

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CAS

13345-21-6

Created by admin on Mon Mar 31 19:24:36 GMT 2025 , Edited by admin on Mon Mar 31 19:24:36 GMT 2025

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