912451-06-0
1-METHYL-5-(2-METHYLPROPYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name1-METHYL-5-(2-METHYLPROPYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-METHYL-5-(2-METHYLPROPYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD10005850
【English Synonyms】
【Formula】
C9 H14 N2 O2
【MolWeight】
182.222
【Inchi】
InChI=1S/C9H14N2O2/c1-6(2)4-7-5-8(9(12)13)10-11(7)3/h5-6H,4H2,1-3H3,(H,12,13)
【InChIKey】
InChIKey=WJUIZNDWTGUSEE-UHFFFAOYSA-N
【SMILES】
CC(C)Cc1cc(nn1C)C(=O)O
【MOL File】
1-METHYL-5-(2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-5-(2-METHYLPROPYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml