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159506-37-3 | 4H-1-Benzopyran-4-one, 6,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-
CAS No: 159506-37-3 Catalog No: AG001R49 MDL No:
Product Description
Catalog Number:
AG001R49
Chemical Name:
4H-1-Benzopyran-4-one, 6,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-
CAS Number:
159506-37-3
Molecular Formula:
C16H12O6
Molecular Weight:
300.2629
IUPAC Name:
6,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
InChI:
InChI=1S/C16H12O6/c1-21-16-14(20)10-6-11(18)12(19)7-13(10)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
InChI Key:
SEIMWTXEHSQAHJ-UHFFFAOYSA-N
SMILES:
COc1c(oc2c(c1=O)cc(c(c2)O)O)c1ccc(cc1)O
Properties
Complexity:
465
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:
2.3
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