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101467-70-3 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-
CAS No: 101467-70-3 Catalog No: AG0004JO MDL No:
Product Description
Catalog Number:
AG0004JO
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-
CAS Number:
101467-70-3
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
IUPAC Name:
5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]chromen-4-one
InChI:
InChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-8,17-19H,5H2
InChI Key:
STWLHRJLBIXUSE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1coc2c(c1=O)c(O)cc(c2)O
Properties
Complexity:
424
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:
3
Isotope Atom Count:
0
Molecular Weight:
284.267g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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