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

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

Approval Year

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
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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