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13329-78-7 | 2,4-Decanedione
CAS No: 13329-78-7 Catalog No: AG0014K3 MDL No:
Product Description
Catalog Number:
AG0014K3
Chemical Name:
2,4-Decanedione
CAS Number:
13329-78-7
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
decane-2,4-dione
InChI:
InChI=1S/C10H18O2/c1-3-4-5-6-7-10(12)8-9(2)11/h3-8H2,1-2H3
InChI Key:
WTVNFKVGGUWHQC-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)CC(=O)C
EC Number:
236-379-6
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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