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1170979-26-6 | 3-Quinolinecarboxylic acid, 6-amino-, methyl ester
CAS No: 1170979-26-6 Catalog No: AG000DPO MDL No:
Product Description
Catalog Number:
AG000DPO
Chemical Name:
3-Quinolinecarboxylic acid, 6-amino-, methyl ester
CAS Number:
1170979-26-6
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
methyl 6-aminoquinoline-3-carboxylate
InChI:
InChI=1S/C11H10N2O2/c1-15-11(14)8-4-7-5-9(12)2-3-10(7)13-6-8/h2-6H,12H2,1H3
InChI Key:
UIZKPZCHRURLRV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)cc(cc2)N
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:
1.6
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