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188861-58-7 | 6-Isoquinolinecarboxylic acid, ethyl ester
CAS No: 188861-58-7 Catalog No: AG002HFJ MDL No:MFCD18416669
Product Description
Catalog Number:
AG002HFJ
Chemical Name:
6-Isoquinolinecarboxylic acid, ethyl ester
CAS Number:
188861-58-7
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD18416669
IUPAC Name:
ethyl isoquinoline-6-carboxylate
InChI:
InChI=1S/C12H11NO2/c1-2-15-12(14)10-3-4-11-8-13-6-5-9(11)7-10/h3-8H,2H2,1H3
InChI Key:
XZSXCFWWZHTJMU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)ccnc2
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:
2.5
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