3-Methyl-2-nitrobenzyl alcohol

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9NO3
Molecular Weight	167.162
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Methyl-2-nitrobenzyl alcohol

Structure Search

SMILES

CC1=C(C(CO)=CC=C1)[N+]([O-])=O

InChI

InChIKey=NELPTBUSFQMYOB-UHFFFAOYSA-N

InChI=1S/C8H9NO3/c1-6-3-2-4-7(5-10)8(6)9(11)12/h2-4,10H,5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H9NO3
Molecular Weight	167.162
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 `Tue Apr 01 20:17:26 GMT 2025` Edited by `admin` on `Tue Apr 01 20:17:26 GMT 2025`
Record UNII	RD44XSC4ZG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-Methyl-2-nitrobenzyl alcohol

Systematic Name

English

3-Methyl-2-nitrobenzenemethanol

Preferred Name

English

Benzenemethanol, 3-methyl-2-nitro-

Systematic Name

English

Code System Code Type Description

FDA UNII

RD44XSC4ZG

Created by admin on Tue Apr 01 20:17:26 GMT 2025 , Edited by admin on Tue Apr 01 20:17:26 GMT 2025

PRIMARY

PUBCHEM

561989

Created by admin on Tue Apr 01 20:17:26 GMT 2025 , Edited by admin on Tue Apr 01 20:17:26 GMT 2025

PRIMARY

EPA CompTox

DTXSID30230757

Created by admin on Tue Apr 01 20:17:26 GMT 2025 , Edited by admin on Tue Apr 01 20:17:26 GMT 2025

PRIMARY

ECHA (EC/EINECS)

279-579-9

Created by admin on Tue Apr 01 20:17:26 GMT 2025 , Edited by admin on Tue Apr 01 20:17:26 GMT 2025

PRIMARY

CAS

80866-76-8

Created by admin on Tue Apr 01 20:17:26 GMT 2025 , Edited by admin on Tue Apr 01 20:17:26 GMT 2025

PRIMARY