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139503-88-1 | 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-
CAS No: 139503-88-1 Catalog No: AG001B55 MDL No:
Product Description
Catalog Number:
AG001B55
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-
CAS Number:
139503-88-1
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
IUPAC Name:
3,5,7-trihydroxy-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H8O5/c10-4-1-5(11)8-7(2-4)14-3-6(12)9(8)13/h1-2,6,10-12H,3H2
InChI Key:
BILGYFCIODXDLL-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)OCC(C2=O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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