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

2-cyclohexyl-3-phenylpropanoic acid

CAS No.:
5638-33-5
Catalog Number:
AG01EKID
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
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Product Description
Catalog Number:
AG01EKID
Chemical Name:
2-cyclohexyl-3-phenylpropanoic acid
CAS Number:
5638-33-5
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
2-cyclohexyl-3-phenylpropanoic acid
InChI:
InChI=1S/C15H20O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,16,17)
InChI Key:
JRILKALTDODAHU-UHFFFAOYSA-N
SMILES:
OC(=O)C(C1CCCCC1)Cc1ccccc1
NSC Number:
31604
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties