Home Other Building Blocks 2-cyclopropyl-3-phenylpropanoic acid

2-cyclopropyl-3-phenylpropanoic acid

CAS No.:
393184-59-3
Catalog Number:
AG01DWEH
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01DWEH
Chemical Name:
2-cyclopropyl-3-phenylpropanoic acid
CAS Number:
393184-59-3
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD20656693
IUPAC Name:
2-cyclopropyl-3-phenylpropanoic acid
InChI:
InChI=1S/C12H14O2/c13-12(14)11(10-6-7-10)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
InChI Key:
VKKCXEZHVZXEJS-UHFFFAOYSA-N
SMILES:
OC(=O)C(C1CC1)Cc1ccccc1
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
2-Benzyl-3,4-iminobutanoic acid as inhibitor of carboxypeptidase A. Bioorganic & medicinal chemistry letters 20011119
Properties