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848128-81-4 | 4-Quinolinol, 5-methyl-
CAS No: 848128-81-4 Catalog No: AG004X3P MDL No:
Product Description
Catalog Number:
AG004X3P
Chemical Name:
4-Quinolinol, 5-methyl-
CAS Number:
848128-81-4
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
5-methyl-1H-quinolin-4-one
InChI:
InChI=1S/C10H9NO/c1-7-3-2-4-8-10(7)9(12)5-6-11-8/h2-6H,1H3,(H,11,12)
InChI Key:
NXFXMHVIKJFZMG-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1c(O)ccn2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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