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1600186-82-0 | 2-methyl-1-(quinolin-4-yl)prop-2-en-1-one
CAS No: 1600186-82-0 Catalog No: AG01BCF6 MDL No:MFCD28714796
Product Description
Catalog Number:
AG01BCF6
Chemical Name:
2-methyl-1-(quinolin-4-yl)prop-2-en-1-one
CAS Number:
1600186-82-0
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD28714796
IUPAC Name:
2-methyl-1-quinolin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C13H11NO/c1-9(2)13(15)11-7-8-14-12-6-4-3-5-10(11)12/h3-8H,1H2,2H3
InChI Key:
NHVNHCGXJBGXRK-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)c1ccnc2c1cccc2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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