Home Other Building Blocks methyl 2-cyano-2-methyl-2-phenylacetate

methyl 2-cyano-2-methyl-2-phenylacetate

CAS No.:
79341-72-3
Catalog Number:
AG01AG32
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AG32
Chemical Name:
methyl 2-cyano-2-methyl-2-phenylacetate
CAS Number:
79341-72-3
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD28397306
IUPAC Name:
methyl 2-cyano-2-phenylpropanoate
InChI:
InChI=1S/C11H11NO2/c1-11(8-12,10(13)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
WYFPWLHRPZDLMF-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1)(C#N)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties