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1447-42-3 | 4-Quinolinol, 2,3,6-trimethyl-
CAS No: 1447-42-3 Catalog No: AG001K15 MDL No:
Product Description
Catalog Number:
AG001K15
Chemical Name:
4-Quinolinol, 2,3,6-trimethyl-
CAS Number:
1447-42-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
2,3,6-trimethyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H13NO/c1-7-4-5-11-10(6-7)12(14)8(2)9(3)13-11/h4-6H,1-3H3,(H,13,14)
InChI Key:
SNXBHMPKNBRNEJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(O)c(c(n2)C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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