936801-70-6
3-CYANO-5-TERT-BUTYLBENZOIC ACID METHYL ESTER
Name3-CYANO-5-TERT-BUTYLBENZOIC ACID METHYL ESTER
1Identification
【Name】
3-CYANO-5-TERT-BUTYLBENZOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD09880200
【English Synonyms】
【Formula】
C13 H15 N O2
【MolWeight】
217.266
【Inchi】
InChI=1S/C13H15NO2/c1-13(2,3)11-6-9(8-14)5-10(7-11)12(15)16-4/h5-7H,1-4H3
【InChIKey】
InChIKey=DSRARMMVRWKOLG-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1cc(cc(c1)C(=O)OC)C#N
【MOL File】
3-CYANO-5-TERT-BUTYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CYANO-5-TERT-BUTYLBENZOIC ACID METHYL ESTER.cml