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1261871-20-8 | 8-Isoquinolinecarboxylic acid, ethyl ester
CAS No: 1261871-20-8 Catalog No: AG000S25 MDL No:MFCD18416671
Product Description
Catalog Number:
AG000S25
Chemical Name:
8-Isoquinolinecarboxylic acid, ethyl ester
CAS Number:
1261871-20-8
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD18416671
IUPAC Name:
ethyl isoquinoline-8-carboxylate
InChI:
InChI=1S/C12H11NO2/c1-2-15-12(14)10-5-3-4-9-6-7-13-8-11(9)10/h3-8H,2H2,1H3
InChI Key:
FYQLLTRIYXXISS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1cncc2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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