Home Other Building Blocks 2,4-OCTANEDIONE

2,4-OCTANEDIONE

CAS No.:
14090-87-0
Catalog Number:
AG001CZQ
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
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Product Description
Catalog Number:
AG001CZQ
Chemical Name:
2,4-OCTANEDIONE
CAS Number:
14090-87-0
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD00015259
IUPAC Name:
octane-2,4-dione
InChI:
InChI=1S/C8H14O2/c1-3-4-5-8(10)6-7(2)9/h3-6H2,1-2H3
InChI Key:
GJYXGIIWJFZCLN-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC(=O)C
EC Number:
237-937-1
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties