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689-00-9

689-00-9 | 1-Hexyn-3-one

CAS No: 689-00-9 Catalog No: AG006FVE MDL No:MFCD21262967

Product Description

Catalog Number:
AG006FVE
Chemical Name:
1-Hexyn-3-one
CAS Number:
689-00-9
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
MDL Number:
MFCD21262967
IUPAC Name:
hex-1-yn-3-one
InChI:
InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2H,3,5H2,1H3
InChI Key:
KSJAIMUFADDAOP-UHFFFAOYSA-N
SMILES:
CCCC(=O)C#C
NSC Number:
617317

Properties

Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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