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15971-88-7 | Cyclododecane, phenyl-
CAS No: 15971-88-7 Catalog No: AG001RD2 MDL No:
Product Description
Catalog Number:
AG001RD2
Chemical Name:
Cyclododecane, phenyl-
CAS Number:
15971-88-7
Molecular Formula:
C18H28
Molecular Weight:
244.4149
IUPAC Name:
phenylcyclododecane
InChI:
InChI=1S/C18H28/c1-2-4-6-9-13-17(14-10-7-5-3-1)18-15-11-8-12-16-18/h8,11-12,15-17H,1-7,9-10,13-14H2
InChI Key:
NKFNKCQNUBQGQP-UHFFFAOYSA-N
SMILES:
C1CCCCCCCCC(CC1)c1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.219g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.422g/mol
Monoisotopic Mass:
244.219g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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