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200391-95-3 | 2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-
CAS No: 200391-95-3 Catalog No: AG002CPR MDL No:
Product Description
Catalog Number:
AG002CPR
Chemical Name:
2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-
CAS Number:
200391-95-3
Molecular Formula:
C16H12O6
Molecular Weight:
300.2629
IUPAC Name:
4-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxychromen-2-one
InChI:
InChI=1S/C16H12O6/c1-21-15-7-14-10(5-13(15)19)9(6-16(20)22-14)8-2-3-11(17)12(18)4-8/h2-7,17-19H,1H3
InChI Key:
IGHVYQBBZBLNDW-UHFFFAOYSA-N
SMILES:
COc1cc2oc(=O)cc(c2cc1O)c1ccc(c(c1)O)O
Properties
Complexity:
462
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
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