56957-30-3
4-(3-ETHOXY-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
Name4-(3-ETHOXY-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
1Identification
【Name】
4-(3-ETHOXY-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD20229330
【English Synonyms】
【Formula】
C12 H12 N2 O4
【MolWeight】
248.237
【Inchi】
InChI=1S/C12H12N2O4/c1-2-18-10-7-11(15)14(13-10)9-5-3-8(4-6-9)12(16)17/h3-6H,2,7H2,1H3,(H,16,17)
【InChIKey】
InChIKey=QVKAVUNICXBXTI-UHFFFAOYSA-N
【SMILES】
CCOC1=NN(C(=O)C1)c2ccc(cc2)C(=O)O
【MOL File】
4-(3-ETHOXY-5-OXO-4,….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
4-(3-ETHOXY-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID.cml