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57499-06-6 | 3-Hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
CAS No: 57499-06-6 Catalog No: AG003JJL MDL No:
Product Description
Catalog Number:
AG003JJL
Chemical Name:
3-Hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
CAS Number:
57499-06-6
Molecular Formula:
C18H16O6
Molecular Weight:
328.3160
IUPAC Name:
3-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)16-15(20)14(19)12-8-9-13(22-2)18(23-3)17(12)24-16/h4-9,20H,1-3H3
InChI Key:
XTFPORCSCKBAHV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1oc2c(OC)c(OC)ccc2c(=O)c1O
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.32g/mol
Monoisotopic Mass:
328.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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