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16171-98-5 | 1,3-Dioxolo[4,5-g]quinoline-7-carboxylic acid, 5,8-dihydro-8-oxo-, ethyl ester
CAS No: 16171-98-5 Catalog No: AG001VU3 MDL No:MFCD00052244
Product Description
Catalog Number:
AG001VU3
Chemical Name:
1,3-Dioxolo[4,5-g]quinoline-7-carboxylic acid, 5,8-dihydro-8-oxo-, ethyl ester
CAS Number:
16171-98-5
Molecular Formula:
C13H11NO5
Molecular Weight:
261.2301
MDL Number:
MFCD00052244
IUPAC Name:
ethyl 8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
InChI:
InChI=1S/C13H11NO5/c1-2-17-13(16)8-5-14-9-4-11-10(18-6-19-11)3-7(9)12(8)15/h3-5H,2,6H2,1H3,(H,14,15)
InChI Key:
VZKWWMFVWHSLHK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c(c1=O)cc1c(c2)OCO1
EC Number:
238-060-7
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.233g/mol
Monoisotopic Mass:
261.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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