916199-07-0
4-(3-CYANOPHENOXY)-BUTANOIC ACID, METHYL ESTER
Name4-(3-CYANOPHENOXY)-BUTANOIC ACID, METHYL ESTER
1Identification
【Name】
4-(3-CYANOPHENOXY)-BUTANOIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD12168343
【English Synonyms】
【Formula】
C12 H13 N O3
【MolWeight】
219.239
【Inchi】
InChI=1S/C12H13NO3/c1-15-12(14)6-3-7-16-11-5-2-4-10(8-11)9-13/h2,4-5,8H,3,6-7H2,1H3
【InChIKey】
InChIKey=YQKANNMTNDUXQK-UHFFFAOYSA-N
【SMILES】
COC(=O)CCCOc1cccc(c1)C#N
【MOL File】
4-(3-CYANOPHENOXY)-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-CYANOPHENOXY)-BUTANOIC ACID, METHYL ESTER.cml