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Details

Stereochemistry ACHIRAL
Molecular Formula C4H9NO4
Molecular Weight 135.1186
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-2-NITRO-1,3-PROPANEDIOL

SMILES

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

InChI

InChIKey=LOTYADDQWWVBDJ-UHFFFAOYSA-N
InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C4H9NO4
Molecular Weight 135.1186
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Aliphatic beta-nitroalcohols for therapeutic corneoscleral cross-linking: chemical mechanisms and higher order nitroalcohols.
2010 Feb
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:29:40 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:40 GMT 2023
Record UNII
31TD71126R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-2-NITRO-1,3-PROPANEDIOL
Systematic Name English
1,3-PROPANEDIOL, 2-METHYL-2-NITRO-
Systematic Name English
NMPD
Common Name English
NITROISOBUTYLGLYCOL
Systematic Name English
2-NITRO-2-METHYL-1,3-PROPANEDIOL
Systematic Name English
1,1-DIMETHYLOL-1-NITROETHANE
Systematic Name English
NSC-5372
Code English
Code System Code Type Description
PUBCHEM
6480
Created by admin on Sat Dec 16 08:29:40 GMT 2023 , Edited by admin on Sat Dec 16 08:29:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID5041437
Created by admin on Sat Dec 16 08:29:40 GMT 2023 , Edited by admin on Sat Dec 16 08:29:40 GMT 2023
PRIMARY
CAS
77-49-6
Created by admin on Sat Dec 16 08:29:40 GMT 2023 , Edited by admin on Sat Dec 16 08:29:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-031-4
Created by admin on Sat Dec 16 08:29:40 GMT 2023 , Edited by admin on Sat Dec 16 08:29:40 GMT 2023
PRIMARY
FDA UNII
31TD71126R
Created by admin on Sat Dec 16 08:29:40 GMT 2023 , Edited by admin on Sat Dec 16 08:29:40 GMT 2023
PRIMARY
NSC
5372
Created by admin on Sat Dec 16 08:29:40 GMT 2023 , Edited by admin on Sat Dec 16 08:29:40 GMT 2023
PRIMARY