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211362-46-8 | 1,4-Naphthalenedione, 7-methyl-2-phenyl-
CAS No: 211362-46-8 Catalog No: AG002LB6 MDL No:
Product Description
Catalog Number:
AG002LB6
Chemical Name:
1,4-Naphthalenedione, 7-methyl-2-phenyl-
CAS Number:
211362-46-8
Molecular Formula:
C17H12O2
Molecular Weight:
248.2760
IUPAC Name:
7-methyl-2-phenylnaphthalene-1,4-dione
InChI:
InChI=1S/C17H12O2/c1-11-7-8-13-15(9-11)17(19)14(10-16(13)18)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
DSBRGXJXDGAQHL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)C(=CC2=O)c1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.281g/mol
Monoisotopic Mass:
248.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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