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88069-96-9 | Cyclohexanol, 4-heptyl-1-phenyl-
CAS No: 88069-96-9 Catalog No: AG004HWX MDL No:
Product Description
Catalog Number:
AG004HWX
Chemical Name:
Cyclohexanol, 4-heptyl-1-phenyl-
CAS Number:
88069-96-9
Molecular Formula:
C19H30O
Molecular Weight:
274.4409
IUPAC Name:
4-heptyl-1-phenylcyclohexan-1-ol
InChI:
InChI=1S/C19H30O/c1-2-3-4-5-7-10-17-13-15-19(20,16-14-17)18-11-8-6-9-12-18/h6,8-9,11-12,17,20H,2-5,7,10,13-16H2,1H3
InChI Key:
GLZRDGFQNFQCFH-UHFFFAOYSA-N
SMILES:
CCCCCCCC1CCC(CC1)(O)c1ccccc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.448g/mol
Monoisotopic Mass:
274.23g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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