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Details

Stereochemistry ACHIRAL
Molecular Formula C3H7NO4
Molecular Weight 121.092
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Nitropropane-1,3-diol

SMILES

OCC(CO)[N+]([O-])=O

InChI

InChIKey=YTIXGBHAPNMOKU-UHFFFAOYSA-N
InChI=1S/C3H7NO4/c5-1-3(2-6)4(7)8/h3,5-6H,1-2H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,3-Propanediol, 2-nitro-
Preferred Name English
2-Nitropropane-1,3-diol
Systematic Name English
2-Nitro-1,3-propanediol
Systematic Name English
Code System Code Type Description
PUBCHEM
120574
Created by admin on Wed Apr 02 20:52:39 GMT 2025 , Edited by admin on Wed Apr 02 20:52:39 GMT 2025
PRIMARY
FDA UNII
QN8KDT2H3X
Created by admin on Wed Apr 02 20:52:39 GMT 2025 , Edited by admin on Wed Apr 02 20:52:39 GMT 2025
PRIMARY
CAS
1794-90-7
Created by admin on Wed Apr 02 20:52:39 GMT 2025 , Edited by admin on Wed Apr 02 20:52:39 GMT 2025
PRIMARY
NIH
NCATS
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