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121810-76-2 | Acetic acid, 2-(6-quinolinylimino)-
CAS No: 121810-76-2 Catalog No: AG00162G MDL No:
Product Description
Catalog Number:
AG00162G
Chemical Name:
Acetic acid, 2-(6-quinolinylimino)-
CAS Number:
121810-76-2
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
2-quinolin-6-yliminoacetic acid
InChI:
InChI=1S/C11H8N2O2/c14-11(15)7-13-9-3-4-10-8(6-9)2-1-5-12-10/h1-7H,(H,14,15)
InChI Key:
PRQLWHJTTIFFDK-UHFFFAOYSA-N
SMILES:
OC(=O)C=Nc1ccc2c(c1)cccn2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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