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27607-65-4 | 1-Butanone, 1,3-dicyclohexyl-
CAS No: 27607-65-4 Catalog No: AG002U7O MDL No:
Product Description
Catalog Number:
AG002U7O
Chemical Name:
1-Butanone, 1,3-dicyclohexyl-
CAS Number:
27607-65-4
Molecular Formula:
C16H28O
Molecular Weight:
236.3929
IUPAC Name:
1,3-dicyclohexylbutan-1-one
InChI:
InChI=1S/C16H28O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h13-15H,2-12H2,1H3
InChI Key:
SWZOBOSZTNZUGW-UHFFFAOYSA-N
SMILES:
CC(C1CCCCC1)CC(=O)C1CCCCC1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.214g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.399g/mol
Monoisotopic Mass:
236.214g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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