5578-69-8
2-HYDROXY-5-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
Name
2-HYDROXY-5-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
Formula
C11 H10 N2 O4
MolWeight
234.21
1Identification
【Name】
2-HYDROXY-5-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD20228828
【English Synonyms】
【Formula】
C11 H10 N2 O4
【MolWeight】
234.21
【Inchi】
InChI=1S/C11H10N2O4/c1-6-4-10(15)13(12-6)7-2-3-9(14)8(5-7)11(16)17/h2-3,5,14H,4H2,1H3,(H,16,17)
【InChIKey】
InChIKey=JEMCFKONNIIZCD-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)c2ccc(c(c2)C(=O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY-5-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID.cml
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