4,4,4-Trinitrobutanoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H5N3O8
Molecular Weight	223.0978
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4,4-Trinitrobutanoic acid

Structure Search

SMILES

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

InChI

InChIKey=ALYGFHXDFBTXMD-UHFFFAOYSA-N

InChI=1S/C4H5N3O8/c8-3(9)1-2-4(5(10)11,6(12)13)7(14)15/h1-2H2,(H,8,9)

HIDE SMILES / InChI

Molecular Formula	C4H5N3O8
Molecular Weight	223.0978
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 19:46:23 GMT 2025` Edited by `admin` on `Wed Apr 02 19:46:23 GMT 2025`
Record UNII	5VND4P7SPH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-71733

Preferred Name

English

4,4,4-Trinitrobutanoic acid

Systematic Name

English

Butanoic acid, 4,4,4-trinitro-

Systematic Name

English

Code System Code Type Description

PUBCHEM

21126

Created by admin on Wed Apr 02 19:46:23 GMT 2025 , Edited by admin on Wed Apr 02 19:46:23 GMT 2025

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NSC

71733

Created by admin on Wed Apr 02 19:46:23 GMT 2025 , Edited by admin on Wed Apr 02 19:46:23 GMT 2025

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EPA CompTox

DTXSID40198293

Created by admin on Wed Apr 02 19:46:23 GMT 2025 , Edited by admin on Wed Apr 02 19:46:23 GMT 2025

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FDA UNII

5VND4P7SPH

Created by admin on Wed Apr 02 19:46:23 GMT 2025 , Edited by admin on Wed Apr 02 19:46:23 GMT 2025

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CAS

5029-46-9

Created by admin on Wed Apr 02 19:46:23 GMT 2025 , Edited by admin on Wed Apr 02 19:46:23 GMT 2025

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