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18986-63-5 | 1,4-Butanedione, 1,4-dicyclohexyl-
CAS No: 18986-63-5 Catalog No: AG002E1V MDL No:
Product Description
Catalog Number:
AG002E1V
Chemical Name:
1,4-Butanedione, 1,4-dicyclohexyl-
CAS Number:
18986-63-5
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
1,4-dicyclohexylbutane-1,4-dione
InChI:
InChI=1S/C16H26O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h13-14H,1-12H2
InChI Key:
DYWGYUNIUHCTRI-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)CCC(=O)C1CCCCC1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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