Home Carboxys [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, (trans,trans)-

[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, (trans,trans)-

CAS No.:
65355-32-0
Catalog Number:
AG00IBHH
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
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Product Description
Catalog Number:
AG00IBHH
Chemical Name:
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, (trans,trans)-
CAS Number:
65355-32-0
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
MDL Number:
MFCD05864407
IUPAC Name:
4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)
InChI Key:
JXPGQFKJNKWDKP-UHFFFAOYSA-N
SMILES:
CCCC1CCC(CC1)[C@@H]1CC[C@H](CC1)C(=O)O
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.209g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties