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1242260-54-3 | 3-Quinolinecarboxylic acid, 4-amino-6-ethoxy-
CAS No: 1242260-54-3 Catalog No: AG000LPO MDL No:
Product Description
Catalog Number:
AG000LPO
Chemical Name:
3-Quinolinecarboxylic acid, 4-amino-6-ethoxy-
CAS Number:
1242260-54-3
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
4-amino-6-ethoxyquinoline-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O3/c1-2-17-7-3-4-10-8(5-7)11(13)9(6-14-10)12(15)16/h3-6H,2H2,1H3,(H2,13,14)(H,15,16)
InChI Key:
PSQRDNKPZFJUCE-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c(N)c(cn2)C(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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