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88607-80-1 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-3-phenyl-
CAS No: 88607-80-1 Catalog No: AG004AHW MDL No:
Product Description
Catalog Number:
AG004AHW
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-6-methoxy-3-phenyl-
CAS Number:
88607-80-1
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
IUPAC Name:
5,7-dihydroxy-6-methoxy-3-phenylchromen-4-one
InChI:
InChI=1S/C16H12O5/c1-20-16-11(17)7-12-13(15(16)19)14(18)10(8-21-12)9-5-3-2-4-6-9/h2-8,17,19H,1H3
InChI Key:
ASDAACPLTHDPRW-UHFFFAOYSA-N
SMILES:
COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.267g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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