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75353-47-8 | 4-Quinolinecarboxylicacid, 3-amino-
CAS No: 75353-47-8 Catalog No: AG005BYF MDL No:
Product Description
Catalog Number:
AG005BYF
Chemical Name:
4-Quinolinecarboxylicacid, 3-amino-
CAS Number:
75353-47-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
3-aminoquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c11-7-5-12-8-4-2-1-3-6(8)9(7)10(13)14/h1-5H,11H2,(H,13,14)
InChI Key:
WKNYGHMNOKYOJY-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)cnc2c1cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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