861545-41-7
4-ISOXAZOLECARBOXYLIC ACID, 5-CINNAMYL-3-METHYL-
Name4-ISOXAZOLECARBOXYLIC ACID, 5-CINNAMYL-3-METHYL-
1Identification
【Name】
4-ISOXAZOLECARBOXYLIC ACID, 5-CINNAMYL-3-METHYL-
【CAS】
【MDL】
MFCD16878479
【English Synonyms】
【Formula】
C14 H13 N O3
【MolWeight】
243.261
【Inchi】
InChI=1S/C14H13NO3/c1-10-13(14(16)17)12(18-15-10)9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3,(H,16,17)/b8-5+
【InChIKey】
InChIKey=DRAOKJLFPMAPQO-VMPITWQZSA-N
【SMILES】
Cc1c(c(on1)C/C=C/c2ccccc2)C(=O)O
【MOL File】
4-ISOXAZOLECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ISOXAZOLECARBOXYLIC ACID, 5-CINNAMYL-3-METHYL-.cml