92647-37-5
2-(CYANOMETHYL)-2-PHENYLPROPANEDIOIC ACID 1,3-DIETHYL ESTER
Name2-(CYANOMETHYL)-2-PHENYLPROPANEDIOIC ACID 1,3-DIETHYL ESTER
1Identification
【Name】
2-(CYANOMETHYL)-2-PHENYLPROPANEDIOIC ACID 1,3-DIETHYL ESTER
【CAS】
【MDL】
MFCD17215544
【English Synonyms】
【Formula】
C15 H17 N O4
【MolWeight】
275.302
【Inchi】
InChI=1S/C15H17NO4/c1-3-19-13(17)15(10-11-16,14(18)20-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
【InChIKey】
InChIKey=YPQUPBBEDDHCNC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(CC#N)(c1ccccc1)C(=O)OCC
【MOL File】
2-(CYANOMETHYL)-2-PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(CYANOMETHYL)-2-PHENYLPROPANEDIOIC ACID 1,3-DIETHYL ESTER.cml