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878006-28-1 | 6H-[1]Benzopyrano[4,3-b]quinolin-7-ol, 3,9-dimethoxy-
CAS No: 878006-28-1 Catalog No: AG004I4P MDL No:
Product Description
Catalog Number:
AG004I4P
Chemical Name:
6H-[1]Benzopyrano[4,3-b]quinolin-7-ol, 3,9-dimethoxy-
CAS Number:
878006-28-1
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
3,9-dimethoxy-6,12-dihydrochromeno[4,3-b]quinolin-7-one
InChI:
InChI=1S/C18H15NO4/c1-21-10-4-6-15-13(7-10)18(20)14-9-23-16-8-11(22-2)3-5-12(16)17(14)19-15/h3-8H,9H2,1-2H3,(H,19,20)
InChI Key:
DDZDVMGJAZGNDE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)OCc1c2nc2ccc(cc2c1O)OC
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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