354222-12-1
4-ISOXAZOLECARBOXYLIC ACID,3-METHYL-5-(3-METHYLPHENYL)-
Name4-ISOXAZOLECARBOXYLIC ACID,3-METHYL-5-(3-METHYLPHENYL)-
1Identification
【Name】
4-ISOXAZOLECARBOXYLIC ACID,3-METHYL-5-(3-METHYLPHENYL)-
【CAS】
【MDL】
MFCD11557831
【English Synonyms】
【Formula】
C12 H11 N O3
【MolWeight】
217.223
【Inchi】
InChI=1S/C12H11NO3/c1-7-4-3-5-9(6-7)11-10(12(14)15)8(2)13-16-11/h3-6H,1-2H3,(H,14,15)
【InChIKey】
InChIKey=SEZVOPBKPNUWQV-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)c2c(c(no2)C)C(=O)O
【MOL File】
4-ISOXAZOLECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ISOXAZOLECARBOXYLIC ACID,3-METHYL-5-(3-METHYLPHENYL)-.cml