2,5-DIMETHYL-BENZOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H10O2
Molecular Weight	150.1745
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,5-DIMETHYL-BENZOIC ACID

Structure Search

SMILES

CC1=CC=C(C)C(=C1)C(O)=O

InChI

InChIKey=XZRHNAFEYMSXRG-UHFFFAOYSA-N

InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C9H10O2
Molecular Weight	150.1745
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
Toxicokinetics and metabolism of pseudocumene (1,2,4-trimethylbenzene) after inhalation exposure in rats.	2002	12038862

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:01:25 GMT 2023` Edited by `admin` on `Fri Dec 15 20:01:25 GMT 2023`
Record UNII	RKE5PMK0H6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,5-DIMETHYL-BENZOIC ACID

Systematic Name

English

BENZOIC ACID, 2,5-DIMETHYL-

Common Name

English

Code System Code Type Description

PUBCHEM

11892

Created by admin on Fri Dec 15 20:01:25 GMT 2023 , Edited by admin on Fri Dec 15 20:01:25 GMT 2023

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CAS

610-72-0

Created by admin on Fri Dec 15 20:01:25 GMT 2023 , Edited by admin on Fri Dec 15 20:01:25 GMT 2023

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ECHA (EC/EINECS)

210-235-2

Created by admin on Fri Dec 15 20:01:25 GMT 2023 , Edited by admin on Fri Dec 15 20:01:25 GMT 2023

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EPA CompTox

DTXSID2060591

Created by admin on Fri Dec 15 20:01:25 GMT 2023 , Edited by admin on Fri Dec 15 20:01:25 GMT 2023

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FDA UNII

RKE5PMK0H6

Created by admin on Fri Dec 15 20:01:25 GMT 2023 , Edited by admin on Fri Dec 15 20:01:25 GMT 2023

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