5-METHYL-2-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 5-METHYL-2-NITROBENZOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=QRRSIFNWHCKMSW-UHFFFAOYSA-N

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

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:11:38 GMT 2023` Edited by `admin` on `Fri Dec 15 18:11:38 GMT 2023`
Record UNII	M9473083XH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-METHYL-2-NITROBENZOIC ACID

Systematic Name

English

M-TOLUIC ACID, 6-NITRO-

Systematic Name

English

METHYL-2-NITROBENZOIC ACID, 5-

Common Name

English

NSC-38067

Code

English

2-NITRO-5-METHYLBENZOIC ACID

Systematic Name

English

3-METHYL-6-NITROBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 5-METHYL-2-NITRO-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID1025643

Created by admin on Fri Dec 15 18:11:38 GMT 2023 , Edited by admin on Fri Dec 15 18:11:38 GMT 2023

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ECHA (EC/EINECS)

221-481-5

Created by admin on Fri Dec 15 18:11:38 GMT 2023 , Edited by admin on Fri Dec 15 18:11:38 GMT 2023

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NSC

38067

Created by admin on Fri Dec 15 18:11:38 GMT 2023 , Edited by admin on Fri Dec 15 18:11:38 GMT 2023

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CAS

3113-72-2

Created by admin on Fri Dec 15 18:11:38 GMT 2023 , Edited by admin on Fri Dec 15 18:11:38 GMT 2023

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FDA UNII

M9473083XH

Created by admin on Fri Dec 15 18:11:38 GMT 2023 , Edited by admin on Fri Dec 15 18:11:38 GMT 2023

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PUBCHEM

18371

Created by admin on Fri Dec 15 18:11:38 GMT 2023 , Edited by admin on Fri Dec 15 18:11:38 GMT 2023

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