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26385-71-7 | 4-Pentyn-2-one
CAS No: 26385-71-7 Catalog No: AG002SZL MDL No:
Product Description
Catalog Number:
AG002SZL
Chemical Name:
4-Pentyn-2-one
CAS Number:
26385-71-7
Molecular Formula:
C5H6O
Molecular Weight:
82.1005
IUPAC Name:
pent-4-yn-2-one
InChI:
InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3
InChI Key:
ASVQKRFMRKDHTD-UHFFFAOYSA-N
SMILES:
CC(=O)CC#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:
0.2
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