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1174865-69-0 | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-, hydrate (1:1)
CAS No: 1174865-69-0 Catalog No: AG000EC9 MDL No:MFCD04220857
Product Description
Catalog Number:
AG000EC9
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-, hydrate (1:1)
CAS Number:
1174865-69-0
Molecular Formula:
C15H12O7
Molecular Weight:
304.2516
MDL Number:
MFCD04220857
IUPAC Name:
2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one;hydrate
InChI:
InChI=1S/C15H10O6.H2O/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7;/h1-6,16-18,20H;1H2
InChI Key:
GYHFUROKCOMWNQ-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
304.254g/mol
Monoisotopic Mass:
304.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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