Home Other Building Blocks methyl 4-(2-cyanoeth-1-en-1-yl)benzoate

methyl 4-(2-cyanoeth-1-en-1-yl)benzoate

CAS No.:
79430-99-2
Catalog Number:
AG01C3Z6
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG01C3Z6
Chemical Name:
methyl 4-(2-cyanoeth-1-en-1-yl)benzoate
CAS Number:
79430-99-2
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD16040762
IUPAC Name:
methyl 4-(2-cyanoethenyl)benzoate
InChI:
InChI=1S/C11H9NO2/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12/h2-7H,1H3
InChI Key:
QEXRDLACHBWICR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C=CC#N
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.5  
Properties