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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

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

Approval Year

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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