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97850-39-0 | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(7-quinolinyl)-
CAS No: 97850-39-0 Catalog No: AG006AV2 MDL No:
Product Description
Catalog Number:
AG006AV2
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-3-(7-quinolinyl)-
CAS Number:
97850-39-0
Molecular Formula:
C18H11NO3
Molecular Weight:
289.2848
IUPAC Name:
7-hydroxy-3-quinolin-7-ylchromen-4-one
InChI:
InChI=1S/C18H11NO3/c20-13-5-6-14-17(9-13)22-10-15(18(14)21)12-4-3-11-2-1-7-19-16(11)8-12/h1-10,20H
InChI Key:
GSMZOGDZTGVSLW-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1)nccc2
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.29g/mol
Monoisotopic Mass:
289.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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