2-METHYL-3-NITROBENZOIC 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 2-METHYL-3-NITROBENZOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=YPQAFWHSMWWPLX-UHFFFAOYSA-N

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

PubMed

PubMed

Title	Date	PubMed

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:18:05 GMT 2023` Edited by `admin` on `Fri Dec 15 18:18:05 GMT 2023`
Record UNII	0SI17D349B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-METHYL-3-NITROBENZOIC ACID

Systematic Name

English

3-NITRO-O-TOLUIC ACID

Common Name

English

METHYL-3-NITROBENZOIC ACID, 2-

Common Name

English

BENZOIC ACID, 2-METHYL-3-NITRO-

Systematic Name

English

3-NITRO-2-METHYLBENZOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

0SI17D349B

Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023

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EPA CompTox

DTXSID7025637

Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023

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CAS

1975-50-4

Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023

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ECHA (EC/EINECS)

217-826-4

Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023

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PUBCHEM

16096

Created by admin on Fri Dec 15 18:18:05 GMT 2023 , Edited by admin on Fri Dec 15 18:18:05 GMT 2023

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