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123263-79-6 | 1,4-Pentanedione, 1-(1-naphthalenyl)-
CAS No: 123263-79-6 Catalog No: AG000K8H MDL No:
Product Description
Catalog Number:
AG000K8H
Chemical Name:
1,4-Pentanedione, 1-(1-naphthalenyl)-
CAS Number:
123263-79-6
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
1-naphthalen-1-ylpentane-1,4-dione
InChI:
InChI=1S/C15H14O2/c1-11(16)9-10-15(17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3
InChI Key:
UQIRGKAYKDQORY-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(=O)c1cccc2c1cccc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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