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162287-04-9

162287-04-9 | 2,3,4,5-Hexanetetrone

CAS No: 162287-04-9 Catalog No: AG001SYD MDL No:

Product Description

Catalog Number:
AG001SYD
Chemical Name:
2,3,4,5-Hexanetetrone
CAS Number:
162287-04-9
Molecular Formula:
C6H6O4
Molecular Weight:
142.1094
IUPAC Name:
hexane-2,3,4,5-tetrone
InChI:
InChI=1S/C6H6O4/c1-3(7)5(9)6(10)4(2)8/h1-2H3
InChI Key:
DOTFTHPAHSFNIZ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)C(=O)C)C(=O)C

Properties

Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.027g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.11g/mol
Monoisotopic Mass:
142.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

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