Methyl 4,4-dinitrobutanoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H8N2O6
Molecular Weight	192.1268
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4,4-dinitrobutanoate

Structure Search

SMILES

COC(=O)CCC([N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=OGBDJCLSUZCLLV-UHFFFAOYSA-N

InChI=1S/C5H8N2O6/c1-13-5(8)3-2-4(6(9)10)7(11)12/h4H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H8N2O6
Molecular Weight	192.1268
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 20:01:36 GMT 2025` Edited by `admin` on `Tue Apr 01 20:01:36 GMT 2025`
Record UNII	C776KP2DWG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 4,4-dinitrobutanoate

Systematic Name

English

NSC-76711

Preferred Name

English

Butanoic acid, 4,4-dinitro-, methyl ester

Systematic Name

English

Butyric acid, 4,4-dinitro-, methyl ester

Common Name

English

Code System Code Type Description

FDA UNII

C776KP2DWG

Created by admin on Tue Apr 01 20:01:36 GMT 2025 , Edited by admin on Tue Apr 01 20:01:36 GMT 2025

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CAS

18913-74-1

Created by admin on Tue Apr 01 20:01:36 GMT 2025 , Edited by admin on Tue Apr 01 20:01:36 GMT 2025

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PUBCHEM

29332

Created by admin on Tue Apr 01 20:01:36 GMT 2025 , Edited by admin on Tue Apr 01 20:01:36 GMT 2025

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NSC

76711

Created by admin on Tue Apr 01 20:01:36 GMT 2025 , Edited by admin on Tue Apr 01 20:01:36 GMT 2025

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EPA CompTox

DTXSID30940425

Created by admin on Tue Apr 01 20:01:36 GMT 2025 , Edited by admin on Tue Apr 01 20:01:36 GMT 2025

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