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86548-40-5 | 3-(1-Naphthoyl)-5,7-dimethoxy-2H-chromen-2-one
CAS No: 86548-40-5 Catalog No: AG004PQI MDL No:
Product Description
Catalog Number:
AG004PQI
Chemical Name:
3-(1-Naphthoyl)-5,7-dimethoxy-2H-chromen-2-one
CAS Number:
86548-40-5
Molecular Formula:
C22H16O5
Molecular Weight:
360.3594
IUPAC Name:
5,7-dimethoxy-3-(naphthalene-1-carbonyl)chromen-2-one
InChI:
InChI=1S/C22H16O5/c1-25-14-10-19(26-2)17-12-18(22(24)27-20(17)11-14)21(23)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3
InChI Key:
ZMPZRDHZQFCUSJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1cc(c(=O)o2)C(=O)c1cccc2c1cccc2
NSC Number:
379523
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.365g/mol
Monoisotopic Mass:
360.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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