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10276-89-8 | Butanoic acid, [1,1'-bicyclohexyl]-2-yl ester
CAS No: 10276-89-8 Catalog No: AG0008B4 MDL No:
Product Description
Catalog Number:
AG0008B4
Chemical Name:
Butanoic acid, [1,1'-bicyclohexyl]-2-yl ester
CAS Number:
10276-89-8
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
(2-cyclohexylcyclohexyl) butanoate
InChI:
InChI=1S/C16H28O2/c1-2-8-16(17)18-15-12-7-6-11-14(15)13-9-4-3-5-10-13/h13-15H,2-12H2,1H3
InChI Key:
NUDKHOLOVCXNHR-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC1CCCCC1C1CCCCC1
NSC Number:
23755
Properties
Complexity:
256
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:
0
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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