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73981-95-0 | 1,3-Propanedione, 1-(1-naphthalenyl)-3-phenyl-
CAS No: 73981-95-0 Catalog No: AG005IQC MDL No:
Product Description
Catalog Number:
AG005IQC
Chemical Name:
1,3-Propanedione, 1-(1-naphthalenyl)-3-phenyl-
CAS Number:
73981-95-0
Molecular Formula:
C19H14O2
Molecular Weight:
274.3133
IUPAC Name:
1-naphthalen-1-yl-3-phenylpropane-1,3-dione
InChI:
InChI=1S/C19H14O2/c20-18(15-8-2-1-3-9-15)13-19(21)17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2
InChI Key:
BXPYHHCYIKJNLA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(=O)c1cccc2c1cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.319g/mol
Monoisotopic Mass:
274.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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