3-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12N2O3S
Molecular Weight	240.279
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid

Structure Search

SMILES

CC1=NN(CC1)C2=CC=CC(=C2)S(O)(=O)=O

InChI

InChIKey=SEUZLZALGROLPM-UHFFFAOYSA-N

InChI=1S/C10H12N2O3S/c1-8-5-6-12(11-8)9-3-2-4-10(7-9)16(13,14)15/h2-4,7H,5-6H2,1H3,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula	C10H12N2O3S
Molecular Weight	240.279
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 20:21:05 GMT 2023` Edited by `admin` on `Sat Dec 16 20:21:05 GMT 2023`
Record UNII	2TX6M744GF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 3-(4,5-dihydro-3-methyl-1H-pyrazol-1-yl)-

Common Name

English

m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid

Systematic Name

English

Code System Code Type Description

CAS

85554-80-9

Created by admin on Sat Dec 16 20:21:05 GMT 2023 , Edited by admin on Sat Dec 16 20:21:05 GMT 2023

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FDA UNII

2TX6M744GF

Created by admin on Sat Dec 16 20:21:05 GMT 2023 , Edited by admin on Sat Dec 16 20:21:05 GMT 2023

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ECHA (EC/EINECS)

287-613-9

Created by admin on Sat Dec 16 20:21:05 GMT 2023 , Edited by admin on Sat Dec 16 20:21:05 GMT 2023

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EPA CompTox

DTXSID20234744

Created by admin on Sat Dec 16 20:21:05 GMT 2023 , Edited by admin on Sat Dec 16 20:21:05 GMT 2023

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PUBCHEM

3020794

Created by admin on Sat Dec 16 20:21:05 GMT 2023 , Edited by admin on Sat Dec 16 20:21:05 GMT 2023

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