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98458-38-9 | 4H-1-Benzopyran-4-one, 7-(formyloxy)-3-(2-quinolinyl)-
CAS No: 98458-38-9 Catalog No: AG005UY2 MDL No:
Product Description
Catalog Number:
AG005UY2
Chemical Name:
4H-1-Benzopyran-4-one, 7-(formyloxy)-3-(2-quinolinyl)-
CAS Number:
98458-38-9
Molecular Formula:
C19H11NO4
Molecular Weight:
317.2949
IUPAC Name:
(4-oxo-3-quinolin-2-ylchromen-7-yl) formate
InChI:
InChI=1S/C19H11NO4/c21-11-24-13-6-7-14-18(9-13)23-10-15(19(14)22)17-8-5-12-3-1-2-4-16(12)20-17/h1-11H
InChI Key:
ZNGIYMKGHMIVKX-UHFFFAOYSA-N
SMILES:
O=COc1ccc2c(c1)occ(c2=O)c1ccc2c(n1)cccc2
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.069g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.3g/mol
Monoisotopic Mass:
317.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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