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113738-80-0 | 4H-1-Benzopyran-4-one, 5,6-dimethoxy-2-(2,3,4-trimethoxyphenyl)-
CAS No: 113738-80-0 Catalog No: AG0009IN MDL No:
Product Description
Catalog Number:
AG0009IN
Chemical Name:
4H-1-Benzopyran-4-one, 5,6-dimethoxy-2-(2,3,4-trimethoxyphenyl)-
CAS Number:
113738-80-0
Molecular Formula:
C20H20O7
Molecular Weight:
372.3686
IUPAC Name:
5,6-dimethoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one
InChI:
InChI=1S/C20H20O7/c1-22-14-9-8-13-17(19(14)25-4)12(21)10-16(27-13)11-6-7-15(23-2)20(26-5)18(11)24-3/h6-10H,1-5H3
InChI Key:
RXRZZDZJENMNEF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC)OC)c1cc(=O)c2c(o1)ccc(c2OC)OC
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.373g/mol
Monoisotopic Mass:
372.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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