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81943-52-4 | 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-chromen-4-one
CAS No: 81943-52-4 Catalog No: AG005GAX MDL No:
Product Description
Catalog Number:
AG005GAX
Chemical Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxy-chromen-4-one
CAS Number:
81943-52-4
Molecular Formula:
C19H18O9
Molecular Weight:
390.3408
IUPAC Name:
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7,8-tetramethoxychromen-4-one
InChI:
InChI=1S/C19H18O9/c1-24-16-12(22)11-13(23)17(25-2)19(27-4)18(26-3)15(11)28-14(16)8-5-6-9(20)10(21)7-8/h5-7,20-21,23H,1-4H3
InChI Key:
WQDGAXUSPJAKPY-UHFFFAOYSA-N
SMILES:
COc1c(oc2c(c1=O)c(O)c(c(c2OC)OC)OC)c1ccc(c(c1)O)O
UNII:
528FT9MZR8
NSC Number:
333052
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.095g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
390.344g/mol
Monoisotopic Mass:
390.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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