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82613-16-9 | 8-Methoxy-1,3-dioxolo[4,5-g]quinolin-6(5H)-one
CAS No: 82613-16-9 Catalog No: AG005CQ9 MDL No:MFCD09834829
Product Description
Catalog Number:
AG005CQ9
Chemical Name:
8-Methoxy-1,3-dioxolo[4,5-g]quinolin-6(5H)-one
CAS Number:
82613-16-9
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD09834829
IUPAC Name:
8-methoxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
InChI:
InChI=1S/C11H9NO4/c1-14-8-4-11(13)12-7-3-10-9(2-6(7)8)15-5-16-10/h2-4H,5H2,1H3,(H,12,13)
InChI Key:
RDMQYOKYIUDROK-UHFFFAOYSA-N
SMILES:
COc1cc(=O)[nH]c2c1cc1OCOc1c2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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