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2,5-Hexanedione

CAS No.:
110-13-4
Catalog Number:
AG003G1A
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003G1A
Chemical Name:
2,5-Hexanedione
CAS Number:
110-13-4
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00008792
IUPAC Name:
hexane-2,5-dione
InChI:
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChI Key:
OJVAMHKKJGICOG-UHFFFAOYSA-N
SMILES:
CC(=O)CCC(=O)C
EC Number:
203-738-3
UNII:
C0Z8884J3P
NSC Number:
7621
UN Number:
1224
Properties
Complexity:
91.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
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