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131086-92-5 | 6H-Dibenzo[b,d]pyran-6-one, 3,4-dihydroxy-
CAS No: 131086-92-5 Catalog No: AG000VIN MDL No:
Product Description
Catalog Number:
AG000VIN
Chemical Name:
6H-Dibenzo[b,d]pyran-6-one, 3,4-dihydroxy-
CAS Number:
131086-92-5
Molecular Formula:
C13H8O4
Molecular Weight:
228.2002
IUPAC Name:
3,4-dihydroxybenzo[c]chromen-6-one
InChI:
InChI=1S/C13H8O4/c14-10-6-5-8-7-3-1-2-4-9(7)13(16)17-12(8)11(10)15/h1-6,14-15H
InChI Key:
XVLDXKNPWFEZHU-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1O)oc(=O)c1c2cccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.203g/mol
Monoisotopic Mass:
228.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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