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78934-98-2 | 2-Propynamide, N-[2-(4-methylphenyl)-1-phenylethyl]-
CAS No: 78934-98-2 Catalog No: AG005D5P MDL No:
Product Description
Catalog Number:
AG005D5P
Chemical Name:
2-Propynamide, N-[2-(4-methylphenyl)-1-phenylethyl]-
CAS Number:
78934-98-2
Molecular Formula:
C18H17NO
Molecular Weight:
263.3337
IUPAC Name:
N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-ynamide
InChI:
InChI=1S/C18H17NO/c1-3-18(20)19-17(16-7-5-4-6-8-16)13-15-11-9-14(2)10-12-15/h1,4-12,17H,13H2,2H3,(H,19,20)
InChI Key:
OEVSJVRSVLMPPA-UHFFFAOYSA-N
SMILES:
C#CC(=O)NC(c1ccccc1)Cc1ccc(cc1)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.34g/mol
Monoisotopic Mass:
263.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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