870007-42-4
4-(CYANO-DIMETHYL-METHYL)-2-ETHOXY-BENZOIC ACID METHYL ESTER
Name4-(CYANO-DIMETHYL-METHYL)-2-ETHOXY-BENZOIC ACID METHYL ESTER
1Identification
【Name】
4-(CYANO-DIMETHYL-METHYL)-2-ETHOXY-BENZOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD11501373
【English Synonyms】
【Formula】
C14 H17 N O3
【MolWeight】
247.292
【Inchi】
InChI=1S/C14H17NO3/c1-5-18-12-8-10(14(2,3)9-15)6-7-11(12)13(16)17-4/h6-8H,5H2,1-4H3
【InChIKey】
InChIKey=UCUDMRGGGWTXKK-UHFFFAOYSA-N
【SMILES】
CCOc1cc(ccc1C(=O)OC)C(C)(C)C#N
【MOL File】
4-(CYANO-DIMETHYL-ME….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-(CYANO-DIMETHYL-METHYL)-2-ETHOXY-BENZOIC ACID METHYL ESTER.cml