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20979-41-3 | 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-7-hydroxy-3-methoxy-
CAS No: 20979-41-3 Catalog No: AG002KFA MDL No:
Product Description
Catalog Number:
AG002KFA
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-7-hydroxy-3-methoxy-
CAS Number:
20979-41-3
Molecular Formula:
C18H16O6
Molecular Weight:
328.3160
IUPAC Name:
2-(3,4-dimethoxyphenyl)-7-hydroxy-3-methoxychromen-4-one
InChI:
InChI=1S/C18H16O6/c1-21-13-7-4-10(8-15(13)22-2)17-18(23-3)16(20)12-6-5-11(19)9-14(12)24-17/h4-9,19H,1-3H3
InChI Key:
ZQUZXWQNKBZWMD-UHFFFAOYSA-N
SMILES:
COc1c(oc2c(c1=O)ccc(c2)O)c1ccc(c(c1)OC)OC
Properties
Complexity:
502
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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