54952-71-5
3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06659796
【English Synonyms】
【Formula】
C11 H10 N2 O2
【MolWeight】
202.212
【Inchi】
InChI=1S/C11H10N2O2/c1-7-9(11(14)15)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)
【InChIKey】
InChIKey=HLBNXQFYFKZFOB-UHFFFAOYSA-N
【SMILES】
Cc1c(c([nH]n1)c2ccccc2)C(=O)O
【MOL File】
3-METHYL-5-PHENYL-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml