2,2-DINITRO-1,3-PROPANEDIOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H6N2O6
Molecular Weight	166.0895
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2-DINITRO-1,3-PROPANEDIOL

Structure Search

SMILES

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

InChI

InChIKey=IUKKSAGYDLAHGF-UHFFFAOYSA-N

InChI=1S/C3H6N2O6/c6-1-3(2-7,4(8)9)5(10)11/h6-7H,1-2H2

HIDE SMILES / InChI

Molecular Formula	C3H6N2O6
Molecular Weight	166.0895
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 `Wed Apr 02 09:50:45 GMT 2025` Edited by `admin` on `Wed Apr 02 09:50:45 GMT 2025`
Record UNII	7TD2178H7J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,2-DINITRO-1,3-PROPANEDIOL

Systematic Name

English

NSC-2694

Preferred Name

English

1,3-PROPANEDIOL, 2,2-DINITRO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

75955

Created by admin on Wed Apr 02 09:50:45 GMT 2025 , Edited by admin on Wed Apr 02 09:50:45 GMT 2025

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FDA UNII

7TD2178H7J

Created by admin on Wed Apr 02 09:50:45 GMT 2025 , Edited by admin on Wed Apr 02 09:50:45 GMT 2025

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ECHA (EC/EINECS)

220-360-4

Created by admin on Wed Apr 02 09:50:45 GMT 2025 , Edited by admin on Wed Apr 02 09:50:45 GMT 2025

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NSC

2694

Created by admin on Wed Apr 02 09:50:45 GMT 2025 , Edited by admin on Wed Apr 02 09:50:45 GMT 2025

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CAS

2736-80-3

Created by admin on Wed Apr 02 09:50:45 GMT 2025 , Edited by admin on Wed Apr 02 09:50:45 GMT 2025

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EPA CompTox

DTXSID90883889

Created by admin on Wed Apr 02 09:50:45 GMT 2025 , Edited by admin on Wed Apr 02 09:50:45 GMT 2025

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