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7424-54-6,MFCD00015186
Catalog No.:AA003IN4
7424-54-6 | Heptane-3,5-dione
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$39.00   $28.00
- +
10g
95%
in stock  
$55.00   $39.00
- +
25g
95%
in stock  
$103.00   $72.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IN4
Chemical Name:
Heptane-3,5-dione
CAS Number:
7424-54-6
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00015186
IUPAC Name:
heptane-3,5-dione
InChI:
InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3
InChI Key:
DGCTVLNZTFDPDJ-UHFFFAOYSA-N
SMILES:
CCC(=O)CC(=O)CC
EC Number:
231-054-5
UNII:
Q3B558E3VY
Properties
Computed Properties
 
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
3,5-Heptanedione 
heptane-3,5-dione 
EINECS 231-054-5 
3,5-heptane dione 
PubChem21961 
AC1Q2ROQ 
AC1Q5GYF 
AC1L32DB 
3,5-Heptanedione, 97% 
SCHEMBL93369 
KSC379Q6F 
DTXSID1064669 
7424-54-6 
CTK2H9862 
ZINC388711 
ACT02985 
KS-00000NF5 
ANW-45146 
GEO-02700 
AKOS004115517 
CS-W013466 
GS-3720 
MCULE-9368471361 
Dipropionylmethane 
RL04818 
TRA0069205 
AJ-20747 
AK-88511 
AN-19396 
CJ-03332 
SC-08086 
ZB011671 
DB-022120 
RT-004211 
3,5-Heptandione 
ST2413111 
FT-0614742 
X7168 
3,5-Heptanedione, purum, >=95.0% (GC) 
M-4998 
I14-5873 
J-511378 
Z1259086979 
InChI=1/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H 
C7H12O2 
UNII-Q3B558E3VY 
CID81923 
AR-1E9813 
C7-H12-O2 
3,5-Heptanedione, 98% - 25G 25g 
H1395 
77729-22-7 
MFCD00015186 
Q3B558E3VY 
DGCTVLNZTFDPDJ-UHFFFAOYSA-N 
3,5-Heptanedione, 99% 
Literature

Title: 1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenyl-isoquinoline.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: 1-[3-(4-Chloro-phen-yl)isoquinolin-1-yl]-3,5-diethyl-1H-pyrazole.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: Formation of iodinated organic compounds by oxidation of iodide-containing waters with manganese dioxide.

Journal: Environmental science & technology 20090915

Title: Synthesis and characterization of mononuclear oxovanadium(IV) complexes and their enzyme inhibition studies with a carbohydrate metabolic enzyme phosphodiesterase I.

Journal: Journal of inorganic biochemistry 20050201

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