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894807-00-2 | 2H-1-Benzopyran-2-one, 3-(3,4-dimethoxyphenyl)-7,8-dihydroxy-
CAS No: 894807-00-2 Catalog No: AG0041MI MDL No:
Product Description
Catalog Number:
AG0041MI
Chemical Name:
2H-1-Benzopyran-2-one, 3-(3,4-dimethoxyphenyl)-7,8-dihydroxy-
CAS Number:
894807-00-2
Molecular Formula:
C17H14O6
Molecular Weight:
314.2895
IUPAC Name:
3-(3,4-dimethoxyphenyl)-7,8-dihydroxychromen-2-one
InChI:
InChI=1S/C17H14O6/c1-21-13-6-4-9(8-14(13)22-2)11-7-10-3-5-12(18)15(19)16(10)23-17(11)20/h3-8,18-19H,1-2H3
InChI Key:
FZQHOXHYLJVCAW-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1cc2ccc(c(c2oc1=O)O)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.293g/mol
Monoisotopic Mass:
314.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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