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1687855-43-1 | 8-Isoquinolinecarboxylic acid, 4-amino-, methyl ester
CAS No: 1687855-43-1 Catalog No: AG001YAL MDL No:
Product Description
Catalog Number:
AG001YAL
Chemical Name:
8-Isoquinolinecarboxylic acid, 4-amino-, methyl ester
CAS Number:
1687855-43-1
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
methyl 4-aminoisoquinoline-8-carboxylate
InChI:
InChI=1S/C11H10N2O2/c1-15-11(14)8-4-2-3-7-9(8)5-13-6-10(7)12/h2-6H,12H2,1H3
InChI Key:
GSEKNOHQZUCRQN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1cncc2N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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