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15787-96-9 | 2-Propyn-1-one, 1-(2-thienyl)-
CAS No: 15787-96-9 Catalog No: AG001PRY MDL No:MFCD21262936
Product Description
Catalog Number:
AG001PRY
Chemical Name:
2-Propyn-1-one, 1-(2-thienyl)-
CAS Number:
15787-96-9
Molecular Formula:
C7H4OS
Molecular Weight:
136.1711
MDL Number:
MFCD21262936
IUPAC Name:
1-thiophen-2-ylprop-2-yn-1-one
InChI:
InChI=1S/C7H4OS/c1-2-6(8)7-4-3-5-9-7/h1,3-5H
InChI Key:
XVAZVTSLFUNLTE-UHFFFAOYSA-N
SMILES:
C#CC(=O)c1cccs1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.998g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.168g/mol
Monoisotopic Mass:
135.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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