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1070879-87-6 | 8-Methyl-2-propyl-4-quinolinol
CAS No: 1070879-87-6 Catalog No: AG007B63 MDL No:
Product Description
Catalog Number:
AG007B63
Chemical Name:
8-Methyl-2-propyl-4-quinolinol
CAS Number:
1070879-87-6
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
8-methyl-2-propyl-1H-quinolin-4-one
InChI:
InChI=1S/C13H15NO/c1-3-5-10-8-12(15)11-7-4-6-9(2)13(11)14-10/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChI Key:
LBIWAWKGQRGEIB-UHFFFAOYSA-N
SMILES:
CCCc1cc(=O)c2c([nH]1)c(C)ccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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