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101885-12-5 | Cyclohexanebutanoic acid, octyl ester
CAS No: 101885-12-5 Catalog No: AG0005UN MDL No:
Product Description
Catalog Number:
AG0005UN
Chemical Name:
Cyclohexanebutanoic acid, octyl ester
CAS Number:
101885-12-5
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
octyl 4-cyclohexylbutanoate
InChI:
InChI=1S/C18H34O2/c1-2-3-4-5-6-10-16-20-18(19)15-11-14-17-12-8-7-9-13-17/h17H,2-16H2,1H3
InChI Key:
UBHXDGZYWCEJJY-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CCCC1CCCCC1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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