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159146-89-1 | 4-Hexyne-2,3-dione
CAS No: 159146-89-1 Catalog No: AG001QIE MDL No:MFCD18820140
Product Description
Catalog Number:
AG001QIE
Chemical Name:
4-Hexyne-2,3-dione
CAS Number:
159146-89-1
Molecular Formula:
C6H6O2
Molecular Weight:
110.1106
MDL Number:
MFCD18820140
IUPAC Name:
hex-4-yne-2,3-dione
InChI:
InChI=1S/C6H6O2/c1-3-4-6(8)5(2)7/h1-2H3
InChI Key:
SDWIGJDORAFEGT-UHFFFAOYSA-N
SMILES:
CC#CC(=O)C(=O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.112g/mol
Monoisotopic Mass:
110.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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