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856086-93-6 | 5-Quinolinecarbamicacid (3CI)
CAS No: 856086-93-6 Catalog No: AG00513O MDL No:
Product Description
Catalog Number:
AG00513O
Chemical Name:
5-Quinolinecarbamicacid (3CI)
CAS Number:
856086-93-6
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
quinolin-5-ylcarbamic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)12-9-5-1-4-8-7(9)3-2-6-11-8/h1-6,12H,(H,13,14)
InChI Key:
HNLOHFMBRCFDBJ-UHFFFAOYSA-N
SMILES:
OC(=O)Nc1cccc2c1cccn2
Properties
Complexity:
220
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:
3
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:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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