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3214-41-3

3214-41-3 | 2,5-Octanedione

CAS No: 3214-41-3 Catalog No: AG0038T4 MDL No:MFCD00043716

Product Description

Catalog Number:
AG0038T4
Chemical Name:
2,5-Octanedione
CAS Number:
3214-41-3
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD00043716
IUPAC Name:
octane-2,5-dione
InChI:
InChI=1S/C8H14O2/c1-3-4-8(10)6-5-7(2)9/h3-6H2,1-2H3
InChI Key:
SPDFSSLYVRCMDZ-UHFFFAOYSA-N
SMILES:
CCCC(=O)CCC(=O)C

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:
0.4  

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