6-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 6-METHYL-2-NITROBENZOIC ACID

Structure Search

SMILES

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

InChI

InChIKey=CCXSGQZMYLXTOI-UHFFFAOYSA-N

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

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:59:05 GMT 2023` Edited by `admin` on `Fri Dec 15 17:59:05 GMT 2023`
Record UNII	JM85Y56DX1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-METHYL-2-NITROBENZOIC ACID

Systematic Name

English

2-METHYL-6-NITROBENZOIC ACID

Systematic Name

English

BENZOIC ACID, 2-METHYL-6-NITRO-

Systematic Name

English

O-TOLUIC ACID, 6-NITRO-

Common Name

English

METHYL-6-NITROBENZOIC ACID, 2-

Common Name

English

6-NITRO-O-TOLUIC ACID

Common Name

English

Code System Code Type Description

FDA UNII

JM85Y56DX1

Created by admin on Fri Dec 15 17:59:05 GMT 2023 , Edited by admin on Fri Dec 15 17:59:05 GMT 2023

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CAS

13506-76-8

Created by admin on Fri Dec 15 17:59:05 GMT 2023 , Edited by admin on Fri Dec 15 17:59:05 GMT 2023

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ECHA (EC/EINECS)

236-833-3

Created by admin on Fri Dec 15 17:59:05 GMT 2023 , Edited by admin on Fri Dec 15 17:59:05 GMT 2023

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EPA CompTox

DTXSID7025639

Created by admin on Fri Dec 15 17:59:05 GMT 2023 , Edited by admin on Fri Dec 15 17:59:05 GMT 2023

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PUBCHEM

16097

Created by admin on Fri Dec 15 17:59:05 GMT 2023 , Edited by admin on Fri Dec 15 17:59:05 GMT 2023

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