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2-Cyclohexylbenzoic acid

CAS No.:
97023-48-8
Catalog Number:
AG003H4O
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG003H4O
Chemical Name:
2-Cyclohexylbenzoic acid
CAS Number:
97023-48-8
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD00452653
IUPAC Name:
2-cyclohexylbenzoic acid
InChI:
InChI=1S/C13H16O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,14,15)
InChI Key:
ZKTFZNPTAJIXMK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C1CCCCC1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties