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116200-87-4 | 2-Propen-1-one, 1-(2,2,4-trimethyl-1(2H)-quinolinyl)-
CAS No: 116200-87-4 Catalog No: AG000BVK MDL No:
Product Description
Catalog Number:
AG000BVK
Chemical Name:
2-Propen-1-one, 1-(2,2,4-trimethyl-1(2H)-quinolinyl)-
CAS Number:
116200-87-4
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
1-(2,2,4-trimethylquinolin-1-yl)prop-2-en-1-one
InChI:
InChI=1S/C15H17NO/c1-5-14(17)16-13-9-7-6-8-12(13)11(2)10-15(16,3)4/h5-10H,1H2,2-4H3
InChI Key:
TYSOMVRKXLLBBM-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1c2ccccc2C(=CC1(C)C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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