Home Other Building Blocks 1-Pentyn-3-one

1-Pentyn-3-one

CAS No.:
16469-62-8
Catalog Number:
AG001V1Q
Molecular Formula:
C5H6O
Molecular Weight:
82.1005
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Product Description
Catalog Number:
AG001V1Q
Chemical Name:
1-Pentyn-3-one
CAS Number:
16469-62-8
Molecular Formula:
C5H6O
Molecular Weight:
82.1005
MDL Number:
MFCD00048615
IUPAC Name:
pent-1-yn-3-one
InChI:
InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3
InChI Key:
GBCOTHPVQOTZKQ-UHFFFAOYSA-N
SMILES:
CCC(=O)C#C
Properties
Complexity:
93.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.042g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.102g/mol
Monoisotopic Mass:
82.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties