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15495-16-6 | 4-Quinolinecarboxaldehyde, 1,2-dihydro-2-oxo-
CAS No: 15495-16-6 Catalog No: AG001NIG MDL No:
Product Description
Catalog Number:
AG001NIG
Chemical Name:
4-Quinolinecarboxaldehyde, 1,2-dihydro-2-oxo-
CAS Number:
15495-16-6
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
IUPAC Name:
2-oxo-1H-quinoline-4-carbaldehyde
InChI:
InChI=1S/C10H7NO2/c12-6-7-5-10(13)11-9-4-2-1-3-8(7)9/h1-6H,(H,11,13)
InChI Key:
VSYXGFNDDQVELE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(=O)[nH]c2c1cccc2
NSC Number:
142454
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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