55066-10-9
2-(5-OXO-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)ACETIC ACID
Name2-(5-OXO-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)ACETIC ACID
1Identification
【Name】
2-(5-OXO-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)ACETIC ACID
【CAS】
【MDL】
MFCD18307191
【English Synonyms】
【Formula】
C11 H10 N2 O3
【MolWeight】
218.211
【Inchi】
InChI=1S/C11H10N2O3/c14-10-6-9(8-4-2-1-3-5-8)12-13(10)7-11(15)16/h1-5H,6-7H2,(H,15,16)
【InChIKey】
InChIKey=CYQQUBHMHNTQFS-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2=NN(C(=O)C2)CC(=O)O
【MOL File】
2-(5-OXO-3-PHENYL-4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-OXO-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)ACETIC ACID.cml