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848733-98-2 | 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(3-hydroxyphenyl)-
CAS No: 848733-98-2 Catalog No: AG004MLQ MDL No:
Product Description
Catalog Number:
AG004MLQ
Chemical Name:
4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(3-hydroxyphenyl)-
CAS Number:
848733-98-2
Molecular Formula:
C15H10O6
Molecular Weight:
286.2363
IUPAC Name:
5,6,7-trihydroxy-2-(3-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C15H10O6/c16-8-3-1-2-7(4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
InChI Key:
JNEATACIZZZBLE-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1cc(=O)c2c(o1)cc(c(c2O)O)O
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
286.239g/mol
Monoisotopic Mass:
286.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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