METHYL 4,4-DINITROVALERATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H10N2O6
Molecular Weight	206.1534
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL 4,4-DINITROVALERATE

Structure Search

SMILES

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

InChI

InChIKey=XJYBIOQYCBWSAV-UHFFFAOYSA-N

InChI=1S/C6H10N2O6/c1-6(7(10)11,8(12)13)4-3-5(9)14-2/h3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C6H10N2O6
Molecular Weight	206.1534
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 20:12:22 GMT 2025` Edited by `admin` on `Tue Apr 01 20:12:22 GMT 2025`
Record UNII	3SNJ83YAJ3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-76734

Preferred Name

English

METHYL 4,4-DINITROVALERATE

Systematic Name

English

PENTANOIC ACID, 4,4-DINITRO-, METHYL ESTER

Systematic Name

English

MDNP

Common Name

English

METHYL 4,4-DINITROPENTANOATE

Systematic Name

English

Code System Code Type Description

NSC

76734

Created by admin on Tue Apr 01 20:12:22 GMT 2025 , Edited by admin on Tue Apr 01 20:12:22 GMT 2025

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FDA UNII

3SNJ83YAJ3

Created by admin on Tue Apr 01 20:12:22 GMT 2025 , Edited by admin on Tue Apr 01 20:12:22 GMT 2025

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EPA CompTox

DTXSID50863960

Created by admin on Tue Apr 01 20:12:22 GMT 2025 , Edited by admin on Tue Apr 01 20:12:22 GMT 2025

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ECHA (EC/EINECS)

230-034-3

Created by admin on Tue Apr 01 20:12:22 GMT 2025 , Edited by admin on Tue Apr 01 20:12:22 GMT 2025

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PUBCHEM

81334

Created by admin on Tue Apr 01 20:12:22 GMT 2025 , Edited by admin on Tue Apr 01 20:12:22 GMT 2025

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CAS

6921-12-6

Created by admin on Tue Apr 01 20:12:22 GMT 2025 , Edited by admin on Tue Apr 01 20:12:22 GMT 2025

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