147008-05-7
3-ISOXAZOLECARBOXYLIC ACID, 4,5-DIHYDRO-5-(1-METHYLETHYL)-, METHYL ESTER
Name3-ISOXAZOLECARBOXYLIC ACID, 4,5-DIHYDRO-5-(1-METHYLETHYL)-, METHYL ESTER
1Identification
【Name】
3-ISOXAZOLECARBOXYLIC ACID, 4,5-DIHYDRO-5-(1-METHYLETHYL)-, METHYL ESTER
【CAS】
【MDL】
MFCD18832547
【English Synonyms】
【Formula】
C8 H13 N O3
【MolWeight】
171.195
【Inchi】
InChI=1S/C8H13NO3/c1-5(2)7-4-6(9-12-7)8(10)11-3/h5,7H,4H2,1-3H3
【InChIKey】
InChIKey=SODWQWVOEZLFJV-UHFFFAOYSA-N
【SMILES】
CC(C)C1CC(=NO1)C(=O)OC
【MOL File】
3-ISOXAZOLECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ISOXAZOLECARBOXYLIC ACID, 4,5-DIHYDRO-5-(1-METHYLETHYL)-, METHYL ESTER.cml