59434-99-0
METHYL ALPHA-CYANO-3,4-DIMETHYL-2-PYRROLEACRYLATE
NameMETHYL ALPHA-CYANO-3,4-DIMETHYL-2-PYRROLEACRYLATE
1Identification
【Name】
METHYL ALPHA-CYANO-3,4-DIMETHYL-2-PYRROLEACRYLATE
【CAS】
【MDL】
MFCD03940724
【English Synonyms】
【Formula】
C11 H12 N2 O2
【MolWeight】
204.228
【Inchi】
InChI=1S/C11H12N2O2/c1-7-6-13-10(8(7)2)4-9(5-12)11(14)15-3/h4,6,13H,1-3H3/b9-4-
【InChIKey】
InChIKey=LQJYZFQAQTXZEZ-WTKPLQERSA-N
【SMILES】
Cc1c[nH]c(c1C)/C=C(/C#N)\C(=O)OC
【MOL File】
METHYL ALPHA-CYANO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL ALPHA-CYANO-3,4-DIMETHYL-2-PYRROLEACRYLATE.cml