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144128-68-7 | 1,3-Cyclohexanedione, 5-(1-naphthalenyl)-
CAS No: 144128-68-7 Catalog No: AG001IZA MDL No:
Product Description
Catalog Number:
AG001IZA
Chemical Name:
1,3-Cyclohexanedione, 5-(1-naphthalenyl)-
CAS Number:
144128-68-7
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
5-naphthalen-1-ylcyclohexane-1,3-dione
InChI:
InChI=1S/C16H14O2/c17-13-8-12(9-14(18)10-13)16-7-3-5-11-4-1-2-6-15(11)16/h1-7,12H,8-10H2
InChI Key:
IZEHHBMFESZNIS-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1cccc2c1cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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