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14621-43-3 | 5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-[2-(4-pyridinyl)ethenyl]-
CAS No: 14621-43-3 Catalog No: AG001DSH MDL No:
Product Description
Catalog Number:
AG001DSH
Chemical Name:
5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-[2-(4-pyridinyl)ethenyl]-
CAS Number:
14621-43-3
Molecular Formula:
C20H15NO5
Molecular Weight:
349.3368
IUPAC Name:
4,9-dimethoxy-7-(2-pyridin-4-ylethenyl)furo[3,2-g]chromen-5-one
InChI:
InChI=1S/C20H15NO5/c1-23-17-14-7-10-25-18(14)20(24-2)19-16(17)15(22)11-13(26-19)4-3-12-5-8-21-9-6-12/h3-11H,1-2H3
InChI Key:
MJNICEUQNNQEBA-UHFFFAOYSA-N
SMILES:
COc1c2oc(C=Cc3ccncc3)cc(=O)c2c(c2c1occ2)OC
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.342g/mol
Monoisotopic Mass:
349.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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