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14939-05-0 | 2-Propyn-1-one, 3-(4-methylphenyl)-1-phenyl-
CAS No: 14939-05-0 Catalog No: AG001LNQ MDL No:
Product Description
Catalog Number:
AG001LNQ
Chemical Name:
2-Propyn-1-one, 3-(4-methylphenyl)-1-phenyl-
CAS Number:
14939-05-0
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
IUPAC Name:
3-(4-methylphenyl)-1-phenylprop-2-yn-1-one
InChI:
InChI=1S/C16H12O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-10H,1H3
InChI Key:
ODMJODNPAIICIH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C#CC(=O)c1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.271g/mol
Monoisotopic Mass:
220.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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