55066-06-3
3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)PROPANE-1-SULFONIC ACID
Name3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)PROPANE-1-SULFONIC ACID
1Identification
【Name】
3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)PROPANE-1-SULFONIC ACID
【CAS】
【MDL】
MFCD20229512
【English Synonyms】
【Formula】
C7 H12 N2 O4 S
【MolWeight】
220.248
【Inchi】
InChI=1S/C7H12N2O4S/c1-6-5-7(10)9(8-6)3-2-4-14(11,12)13/h2-5H2,1H3,(H,11,12,13)
【InChIKey】
InChIKey=SNFFWFITDUTVMV-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)CCCS(=O)(=O)O
【MOL File】
3-(3-METHYL-5-OXO-4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)PROPANE-1-SULFONIC ACID.cml