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1416440-22-6 | 3-Quinolinecarboxylic acid, 5-amino-, ethyl ester
CAS No: 1416440-22-6 Catalog No: AG001GTC MDL No:MFCD22690556
Product Description
Catalog Number:
AG001GTC
Chemical Name:
3-Quinolinecarboxylic acid, 5-amino-, ethyl ester
CAS Number:
1416440-22-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD22690556
IUPAC Name:
ethyl 5-aminoquinoline-3-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-2-16-12(15)8-6-9-10(13)4-3-5-11(9)14-7-8/h3-7H,2,13H2,1H3
InChI Key:
CRHQHVDNHKUISX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1)c(N)ccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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