3-METHYL-4-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 3-METHYL-4-NITROBENZOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=XDTTUTIFWDAMIX-UHFFFAOYSA-N

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

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:15:13 GMT 2023` Edited by `admin` on `Fri Dec 15 19:15:13 GMT 2023`
Record UNII	ELP258JXH0
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-METHYL-4-NITROBENZOIC ACID

Systematic Name

English

M-TOLUIC ACID, 4-NITRO-

Common Name

English

4-NITRO-M-TOLUIC ACID

Systematic Name

English

NSC-28455

Code

English

BENZOIC ACID, 3-METHYL-4-NITRO-

Systematic Name

English

4-NITRO-3-METHYLBENZOIC ACID

Systematic Name

English

METHYL-4-NITROBENZOIC ACID, 3-

Common Name

English

M-METHYL-P-NITROBENZOIC ACID

Common Name

English

Code System Code Type Description

PUBCHEM

18370

Created by admin on Fri Dec 15 19:15:13 GMT 2023 , Edited by admin on Fri Dec 15 19:15:13 GMT 2023

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FDA UNII

ELP258JXH0

Created by admin on Fri Dec 15 19:15:13 GMT 2023 , Edited by admin on Fri Dec 15 19:15:13 GMT 2023

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CAS

3113-71-1

Created by admin on Fri Dec 15 19:15:13 GMT 2023 , Edited by admin on Fri Dec 15 19:15:13 GMT 2023

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ECHA (EC/EINECS)

221-479-4

Created by admin on Fri Dec 15 19:15:13 GMT 2023 , Edited by admin on Fri Dec 15 19:15:13 GMT 2023

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EPA CompTox

DTXSID1025641

Created by admin on Fri Dec 15 19:15:13 GMT 2023 , Edited by admin on Fri Dec 15 19:15:13 GMT 2023

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NSC

28455

Created by admin on Fri Dec 15 19:15:13 GMT 2023 , Edited by admin on Fri Dec 15 19:15:13 GMT 2023

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