916169-46-5
4-(3-ETHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
Name4-(3-ETHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
1Identification
【Name】
4-(3-ETHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD13197166
【English Synonyms】
【Formula】
C12 H12 N2 O3
【MolWeight】
232.238
【Inchi】
InChI=1S/C12H12N2O3/c1-2-9-7-11(15)14(13-9)10-5-3-8(4-6-10)12(16)17/h3-6H,2,7H2,1H3,(H,16,17)
【InChIKey】
InChIKey=MIDARUOKVCRVBN-UHFFFAOYSA-N
【SMILES】
CCC1=NN(C(=O)C1)c2ccc(cc2)C(=O)O
【MOL File】
4-(3-ETHYL-5-OXO-4,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-ETHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID.cml