873000-73-8
4-ISOXAZOLECARBOXYLIC ACID, 4,5-DIHYDRO-3-METHYL-4-(4-METHYLPHENYL)-, (-)-
Name4-ISOXAZOLECARBOXYLIC ACID, 4,5-DIHYDRO-3-METHYL-4-(4-METHYLPHENYL)-, (-)-
1Identification
【Name】
4-ISOXAZOLECARBOXYLIC ACID, 4,5-DIHYDRO-3-METHYL-4-(4-METHYLPHENYL)-, (-)-
【CAS】
【MDL】
MFCD17018411
【English Synonyms】
【Formula】
C12 H13 N O3
【MolWeight】
219.239
【Inchi】
InChI=1S/C12H13NO3/c1-8-3-5-10(6-4-8)12(11(14)15)7-16-13-9(12)2/h3-6H,7H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=YANZFLDSIABFDA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C2(CON=C2C)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, 4,5-DIHYDRO-3-METHYL-4-(4-METHYLPHENYL)-, (-)-.cml