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79784-30-8 | 5,8-DIMETHOXYQUINOLIN-2(1H)-ONE
CAS No: 79784-30-8 Catalog No: AG01DMKU MDL No:
Product Description
Catalog Number:
AG01DMKU
Chemical Name:
5,8-DIMETHOXYQUINOLIN-2(1H)-ONE
CAS Number:
79784-30-8
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
5,8-dimethoxy-1H-quinolin-2-one
InChI:
InChI=1S/C11H11NO3/c1-14-8-4-5-9(15-2)11-7(8)3-6-10(13)12-11/h3-6H,1-2H3,(H,12,13)
InChI Key:
CVDCCKUJQGNNIK-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1ccc(=O)[nH]2)OC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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