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1313738-76-9 | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-ethyl-3-hydroxy-
CAS No: 1313738-76-9 Catalog No: AG000W0Y MDL No:MFCD19443932
Product Description
Catalog Number:
AG000W0Y
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-ethyl-3-hydroxy-
CAS Number:
1313738-76-9
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
MDL Number:
MFCD19443932
IUPAC Name:
2-(3,4-dihydroxyphenyl)-6-ethyl-3-hydroxychromen-4-one
InChI:
InChI=1S/C17H14O5/c1-2-9-3-6-14-11(7-9)15(20)16(21)17(22-14)10-4-5-12(18)13(19)8-10/h3-8,18-19,21H,2H2,1H3
InChI Key:
SQVMXCHFANPQEF-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(=O)c(c(o2)c1ccc(c(c1)O)O)O
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
298.294g/mol
Monoisotopic Mass:
298.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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