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921793-16-0 | 1-Penten-4-yn-3-one, 5-phenyl-1-(2-thienyl)-, (1E)-
CAS No: 921793-16-0 Catalog No: AG006GK5 MDL No:
Product Description
Catalog Number:
AG006GK5
Chemical Name:
1-Penten-4-yn-3-one, 5-phenyl-1-(2-thienyl)-, (1E)-
CAS Number:
921793-16-0
Molecular Formula:
C15H10OS
Molecular Weight:
238.3043
IUPAC Name:
5-phenyl-1-thiophen-2-ylpent-1-en-4-yn-3-one
InChI:
InChI=1S/C15H10OS/c16-14(10-11-15-7-4-12-17-15)9-8-13-5-2-1-3-6-13/h1-7,10-12H
InChI Key:
PFSOKBWVFJVATA-UHFFFAOYSA-N
SMILES:
O=C(/C=C/c1cccs1)C#Cc1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.304g/mol
Monoisotopic Mass:
238.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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