4-Nitro-o-toluic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Nitro-o-toluic acid

Structure Search

SMILES

CC1=C(C=CC(=C1)[N+]([O-])=O)C(O)=O

InChI

InChIKey=XXXOBNJIIZQSPT-UHFFFAOYSA-N

InChI=1S/C8H7NO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C8H7NO4
Molecular Weight	181.1455
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 19:06:27 GMT 2025` Edited by `admin` on `Tue Apr 01 19:06:27 GMT 2025`
Record UNII	N5G57JE9C2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Nitro-o-toluic acid

Common Name

English

NSC-227948

Preferred Name

English

BENZOIC ACID, 2-METHYL-4-NITRO-

Systematic Name

English

4-NITRO-2-METHYLBENZOIC ACID

Systematic Name

English

2-METHYL-4-NITROBENZOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

1975-51-5

Created by admin on Tue Apr 01 19:06:27 GMT 2025 , Edited by admin on Tue Apr 01 19:06:27 GMT 2025

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EPA CompTox

DTXSID90173434

Created by admin on Tue Apr 01 19:06:27 GMT 2025 , Edited by admin on Tue Apr 01 19:06:27 GMT 2025

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PUBCHEM

74790

Created by admin on Tue Apr 01 19:06:27 GMT 2025 , Edited by admin on Tue Apr 01 19:06:27 GMT 2025

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FDA UNII

N5G57JE9C2

Created by admin on Tue Apr 01 19:06:27 GMT 2025 , Edited by admin on Tue Apr 01 19:06:27 GMT 2025

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ECHA (EC/EINECS)

217-828-5

Created by admin on Tue Apr 01 19:06:27 GMT 2025 , Edited by admin on Tue Apr 01 19:06:27 GMT 2025

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NSC

227948

Created by admin on Tue Apr 01 19:06:27 GMT 2025 , Edited by admin on Tue Apr 01 19:06:27 GMT 2025

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