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1017969-33-3 | 8-Isoquinolinecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester
CAS No: 1017969-33-3 Catalog No: AG0005L4 MDL No:
Product Description
Catalog Number:
AG0005L4
Chemical Name:
8-Isoquinolinecarboxylic acid, 2,3-dihydro-3-oxo-, methyl ester
CAS Number:
1017969-33-3
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
methyl 3-oxo-2H-isoquinoline-8-carboxylate
InChI:
InChI=1S/C11H9NO3/c1-15-11(14)8-4-2-3-7-5-10(13)12-6-9(7)8/h2-6H,1H3,(H,12,13)
InChI Key:
KXZNTWDCVPZJJF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c[nH]c(=O)c2
Properties
Complexity:
453
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:
0.2
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