Home Other Building Blocks Benzenepropanoic acid, b-(cyanomethyl)-

Benzenepropanoic acid, b-(cyanomethyl)-

CAS No.:
131906-15-5
Catalog Number:
AG01BGYW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BGYW
Chemical Name:
Benzenepropanoic acid, b-(cyanomethyl)-
CAS Number:
131906-15-5
MDL Number:
MFCD20644552
IUPAC Name:
4-cyano-3-phenylbutanoic acid
InChI:
InChI=1S/C11H11NO2/c12-7-6-10(8-11(13)14)9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H,13,14)
InChI Key:
MZGSUTHFZYOIHU-UHFFFAOYSA-N
Properties
Complexity:
235  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties