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101564-25-4 | Cyclohexanecarboxylic acid, 4-(cyclohexylmethyl)-, cis-
CAS No: 101564-25-4 Catalog No: AG0004TA MDL No:
Product Description
Catalog Number:
AG0004TA
Chemical Name:
Cyclohexanecarboxylic acid, 4-(cyclohexylmethyl)-, cis-
CAS Number:
101564-25-4
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
4-(cyclohexylmethyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H24O2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-13H,1-10H2,(H,15,16)
InChI Key:
YARQMPDXVPZULU-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CC[C@@H](CC1)CC1CCCCC1
NSC Number:
172868
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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