32702-16-2
1H-PYRAZOLE-4-ACETIC ACID, 3,5-DIMETHYL-1-PHENYL-, SODIUM SALT (1:1)
Name1H-PYRAZOLE-4-ACETIC ACID, 3,5-DIMETHYL-1-PHENYL-, SODIUM SALT (1:1)
FormulaC13 H13 N2 O2 . Na
1Identification
【Name】
1H-PYRAZOLE-4-ACETIC ACID, 3,5-DIMETHYL-1-PHENYL-, SODIUM SALT (1:1)
【CAS】
【MDL】
MFCD17019461
【English Synonyms】
【Formula】
C13 H13 N2 O2 . Na
【MolWeight】
252.248
【Inchi】
InChI=1S/C13H14N2O2.Na/c1-9-12(8-13(16)17)10(2)15(14-9)11-6-4-3-5-7-11;/h3-7H,8H2,1-2H3,(H,16,17);/q;+1/p-1
【InChIKey】
InChIKey=NVVVDYAYANQNHP-UHFFFAOYSA-M
【SMILES】
Cc1c(c(n(n1)c2ccccc2)C)CC(=O)[O-].[Na+]
【MOL File】
1H-PYRAZOLE-4-ACETIC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRAZOLE-4-ACETIC ACID, 3,5-DIMETHYL-1-PHENYL-, SODIUM SALT (1:1).cml