Home Other Building Blocks 2-cyano-3-(4-methylphenyl)prop-2-enoic acid

2-cyano-3-(4-methylphenyl)prop-2-enoic acid

CAS No.:
1424390-73-7
Catalog Number:
AG019IHT
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG019IHT
Chemical Name:
2-cyano-3-(4-methylphenyl)prop-2-enoic acid
CAS Number:
1424390-73-7
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD02669932
IUPAC Name:
2-cyano-3-(4-methylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
VSMAAVBAABUVMQ-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)C)C(=O)O
Properties
Complexity:
290  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.6  
Properties