74723-94-7
1-(2-METHOXYPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name1-(2-METHOXYPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-(2-METHOXYPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD17422848
【English Synonyms】
【Formula】
C11 H10 N2 O4
【MolWeight】
234.21
【Inchi】
InChI=1S/C11H10N2O4/c1-17-9-5-3-2-4-8(9)13-10(14)6-7(12-13)11(15)16/h2-5H,6H2,1H3,(H,15,16)
【InChIKey】
InChIKey=HBHYHEDQTJKSII-UHFFFAOYSA-N
【SMILES】
COc1ccccc1N2C(=O)CC(=N2)C(=O)O
【MOL File】
1-(2-METHOXYPHENYL)-….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
1-(2-METHOXYPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml