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1447-88-7 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-
CAS No: 1447-88-7 Catalog No: AG001K12 MDL No:MFCD00143504
Product Description
Catalog Number:
AG001K12
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-
CAS Number:
1447-88-7
Molecular Formula:
C16H12O6
Molecular Weight:
300.2629
MDL Number:
MFCD00143504
IUPAC Name:
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one
InChI:
InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
InChI Key:
IHFBPDAQLQOCBX-UHFFFAOYSA-N
SMILES:
COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
UNII:
N7F61604C2
NSC Number:
122415
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.266g/mol
Monoisotopic Mass:
300.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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