Home Other Building Blocks 5465-09-8
5465-09-8,MFCD00045552
Catalog No.:AA003IFY
5465-09-8 | 3,4-Dimethylcyclohexanone
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$246.00   $172.00
- +
500mg
95.0%
3 weeks  
$255.00   $179.00
- +
1g
95.0%
3 weeks  
$263.00   $184.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003IFY
Chemical Name:
3,4-Dimethylcyclohexanone
CAS Number:
5465-09-8
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD00045552
IUPAC Name:
3,4-dimethylcyclohexan-1-one
InChI:
InChI=1S/C8H14O/c1-6-3-4-8(9)5-7(6)2/h6-7H,3-5H2,1-2H3
InChI Key:
ZDCYWXYPRPCJOY-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(C1)C)C
NSC Number:
28978
Properties
Computed Properties
 
Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3,4-Dimethylcyclohexanone 
5465-09-8 
Cyclohexanone, 3,4-dimethyl- 
CTK5A2087 
ZDCYWXYPRPCJOY-UHFFFAOYSA-N 
7-(dimethylamino)-6-methylcoumarin 
MFCD00045552 
NSC-28978 
AKOS026729826 
NE11015 
AS-43460 
DB-052623 
3,4-dimethylcyclohexan-1-one 
TC-170000 
FT-0635742 
3,4-Dimethylcyclohexanone (mixture of isomers) 
I14-85708 
CID138519 
CIS-3,4-DIMETHYLCYCLOHEXANONE 
Cyclohexanone, 3,4-dimethyl-, cis- 
D1281 
27922-05-0 
3,4-Dimethyl cyclohexanone 
3,4-Dimethylcyclohexanone,c&t 
NSC28978 
AC1L3CZJ 
ACMC-1CFC3 
Cyclohexanone,3,4-dimethyl- 
SCHEMBL856067 
Literature
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