866604-90-2
5-ISOXAZOLEACETIC ACID, 4,5-DIHYDRO-3-(4-HYDROXYPHENYL)-4-PROPYL-, 2-METHYLPROPYL ESTER
Name5-ISOXAZOLEACETIC ACID, 4,5-DIHYDRO-3-(4-HYDROXYPHENYL)-4-PROPYL-, 2-METHYLPROPYL ESTER
1Identification
【Name】
5-ISOXAZOLEACETIC ACID, 4,5-DIHYDRO-3-(4-HYDROXYPHENYL)-4-PROPYL-, 2-METHYLPROPYL ESTER
【CAS】
【MDL】
MFCD16878613
【English Synonyms】
【Formula】
C18 H25 N O4
【MolWeight】
319.398
【Inchi】
InChI=1S/C18H25NO4/c1-4-5-15-16(10-17(21)22-11-12(2)3)23-19-18(15)13-6-8-14(20)9-7-13/h6-9,12,15-16,20H,4-5,10-11H2,1-3H3
【InChIKey】
InChIKey=GKBMHLAJBAAANF-UHFFFAOYSA-N
【SMILES】
CCCC1C(ON=C1c2ccc(cc2)O)CC(=O)OCC(C)C
【MOL File】
5-ISOXAZOLEACETIC AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-ISOXAZOLEACETIC ACID, 4,5-DIHYDRO-3-(4-HYDROXYPHENYL)-4-PROPYL-, 2-METHYLPROPYL ESTER.cml