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1626-09-1 | 2,7-Octanedione
CAS No: 1626-09-1 Catalog No: AG001T9S MDL No:
Product Description
Catalog Number:
AG001T9S
Chemical Name:
2,7-Octanedione
CAS Number:
1626-09-1
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
octane-2,7-dione
InChI:
InChI=1S/C8H14O2/c1-7(9)5-3-4-6-8(2)10/h3-6H2,1-2H3
InChI Key:
NZGDDIUIXYFYFO-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCC(=O)C
UNII:
PSE2579CPJ
NSC Number:
108364
Properties
Complexity:
111
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:
0.3
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