Home Other Building Blocks 2-cyano-3-(4-cyanophenyl)propanoic acid

2-cyano-3-(4-cyanophenyl)propanoic acid

CAS No.:
18176-71-1
Catalog Number:
AG01BG9N
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BG9N
Chemical Name:
2-cyano-3-(4-cyanophenyl)propanoic acid
CAS Number:
18176-71-1
MDL Number:
MFCD24487782
IUPAC Name:
2-cyano-3-(4-cyanophenyl)propanoic acid
InChI:
InChI=1S/C11H8N2O2/c12-6-9-3-1-8(2-4-9)5-10(7-13)11(14)15/h1-4,10H,5H2,(H,14,15)
InChI Key:
DSECWSXVNFIMLO-UHFFFAOYSA-N
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties