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114041-03-1 | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-ethoxy-3-hydroxy-
CAS No: 114041-03-1 Catalog No: AG000ADE MDL No:
Product Description
Catalog Number:
AG000ADE
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-ethoxy-3-hydroxy-
CAS Number:
114041-03-1
Molecular Formula:
C17H14O6
Molecular Weight:
314.2895
IUPAC Name:
2-(3,4-dihydroxyphenyl)-7-ethoxy-3-hydroxychromen-4-one
InChI:
InChI=1S/C17H14O6/c1-2-22-10-4-5-11-14(8-10)23-17(16(21)15(11)20)9-3-6-12(18)13(19)7-9/h3-8,18-19,21H,2H2,1H3
InChI Key:
HWUIYLCRDRBZIO-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.293g/mol
Monoisotopic Mass:
314.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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