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250782-41-3 | Cyclohexanone, 3-(2-naphthalenyl)-, (3S)-
CAS No: 250782-41-3 Catalog No: AG002QEL MDL No:
Product Description
Catalog Number:
AG002QEL
Chemical Name:
Cyclohexanone, 3-(2-naphthalenyl)-, (3S)-
CAS Number:
250782-41-3
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
IUPAC Name:
(3S)-3-naphthalen-2-ylcyclohexan-1-one
InChI:
InChI=1S/C16H16O/c17-16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-2,4-5,8-10,14H,3,6-7,11H2/t14-/m0/s1
InChI Key:
CJZGZPTYKOPUPG-AWEZNQCLSA-N
SMILES:
O=C1CCC[C@@H](C1)c1ccc2c(c1)cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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