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1368336-35-9 | 8-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-, methyl ester
CAS No: 1368336-35-9 Catalog No: AG0012F6 MDL No:MFCD26143074
Product Description
Catalog Number:
AG0012F6
Chemical Name:
8-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-, methyl ester
CAS Number:
1368336-35-9
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD26143074
IUPAC Name:
methyl 1-oxo-2H-isoquinoline-8-carboxylate
InChI:
InChI=1S/C11H9NO3/c1-15-11(14)8-4-2-3-7-5-6-12-10(13)9(7)8/h2-6H,1H3,(H,12,13)
InChI Key:
ROENEBOLKDRRQM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(=O)[nH]cc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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