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144707-13-1 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-(2,3,4-trimethoxyphenyl)-
CAS No: 144707-13-1 Catalog No: AG001K1J MDL No:
Product Description
Catalog Number:
AG001K1J
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-2-(2,3,4-trimethoxyphenyl)-
CAS Number:
144707-13-1
Molecular Formula:
C18H16O6
Molecular Weight:
328.3160
IUPAC Name:
7-hydroxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one
InChI:
InChI=1S/C18H16O6/c1-21-14-7-6-12(17(22-2)18(14)23-3)16-9-13(20)11-5-4-10(19)8-15(11)24-16/h4-9,19H,1-3H3
InChI Key:
HBXWDZAQZGXSHT-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1OC)OC)c1cc(=O)c2c(o1)cc(cc2)O
NSC Number:
649086
Properties
Complexity:
490
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:
3.5
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