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113777-19-8 | Cyclohexanone, 2-(1-naphthalenylmethyl)-
CAS No: 113777-19-8 Catalog No: AG0009NI MDL No:
Product Description
Catalog Number:
AG0009NI
Chemical Name:
Cyclohexanone, 2-(1-naphthalenylmethyl)-
CAS Number:
113777-19-8
Molecular Formula:
C17H18O
Molecular Weight:
238.3242
IUPAC Name:
2-(naphthalen-1-ylmethyl)cyclohexan-1-one
InChI:
InChI=1S/C17H18O/c18-17-11-4-2-7-15(17)12-14-9-5-8-13-6-1-3-10-16(13)14/h1,3,5-6,8-10,15H,2,4,7,11-12H2
InChI Key:
FGTXWXTUAZKBII-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1Cc1cccc2c1cccc2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.33g/mol
Monoisotopic Mass:
238.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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