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70460-34-3 | 4H-1-Benzopyran-4-one,2-(2,6-dihydroxyphenyl)-3-hydroxy-
CAS No: 70460-34-3 Catalog No: AG005IW0 MDL No:
Product Description
Catalog Number:
AG005IW0
Chemical Name:
4H-1-Benzopyran-4-one,2-(2,6-dihydroxyphenyl)-3-hydroxy-
CAS Number:
70460-34-3
Molecular Formula:
C15H10O5
Molecular Weight:
270.2369
IUPAC Name:
2-(2,6-dihydroxyphenyl)-3-hydroxychromen-4-one
InChI:
InChI=1S/C15H10O5/c16-9-5-3-6-10(17)12(9)15-14(19)13(18)8-4-1-2-7-11(8)20-15/h1-7,16-17,19H
InChI Key:
OZTLYESAHCAEDG-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1c1oc2ccccc2c(=O)c1O)O
NSC Number:
78633
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.24g/mol
Monoisotopic Mass:
270.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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