5-METHYL-3-(2-THIENYL)ISOXAZOLE-4-CARBOXYLIC ACID

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H7NO3S
Molecular Weight	209.222
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-METHYL-3-(2-THIENYL)ISOXAZOLE-4-CARBOXYLIC ACID

Structure Search

SMILES

CC1=C(C(O)=O)C(=NO1)C2=CC=CS2

InChI

InChIKey=QSTCJVAUTDWHRS-UHFFFAOYSA-N

InChI=1S/C9H7NO3S/c1-5-7(9(11)12)8(10-13-5)6-3-2-4-14-6/h2-4H,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C9H7NO3S
Molecular Weight	209.222
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:31:54 GMT 2023` Edited by `admin` on `Sat Dec 16 12:31:54 GMT 2023`
Record UNII	J2P37M0RDA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-METHYL-3-(2-THIENYL)ISOXAZOLE-4-CARBOXYLIC ACID

Systematic Name

English

4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(2-THIENYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

J2P37M0RDA

Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023

PRIMARY

PUBCHEM

3019367

Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023

PRIMARY

CAS

83817-53-2

Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023

PRIMARY

ECHA (EC/EINECS)

280-953-9

Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023

PRIMARY

EPA CompTox

DTXSID40232702

Created by admin on Sat Dec 16 12:31:54 GMT 2023 , Edited by admin on Sat Dec 16 12:31:54 GMT 2023

PRIMARY