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18813-64-4 | Furo[2,3-b]quinolin-4(9H)-one, 9-(3-hydroxy-3-methylbutyl)-7-methoxy-
CAS No: 18813-64-4 Catalog No: AG002GQ7 MDL No:
Product Description
Catalog Number:
AG002GQ7
Chemical Name:
Furo[2,3-b]quinolin-4(9H)-one, 9-(3-hydroxy-3-methylbutyl)-7-methoxy-
CAS Number:
18813-64-4
Molecular Formula:
C17H19NO4
Molecular Weight:
301.3371
IUPAC Name:
9-(3-hydroxy-3-methylbutyl)-7-methoxyfuro[2,3-b]quinolin-4-one
InChI:
InChI=1S/C17H19NO4/c1-17(2,20)7-8-18-14-10-11(21-3)4-5-12(14)15(19)13-6-9-22-16(13)18/h4-6,9-10,20H,7-8H2,1-3H3
InChI Key:
YUPNOSLGVDBAPJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(CCC(O)(C)C)c1c(c2=O)cco1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.342g/mol
Monoisotopic Mass:
301.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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