Home Other Building Blocks 1004-77-9
1004-77-9,MFCD07779260
Catalog No.:AA0001TU
1004-77-9 | Cyclohexanone, 2-(1-methylethyl)-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$347.00   $243.00
- +
500mg
95.0%
3 weeks  
$590.00   $413.00
- +
1g
95.0%
3 weeks  
$766.00   $537.00
- +
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Technical Information
Catalog Number:
AA0001TU
Chemical Name:
Cyclohexanone, 2-(1-methylethyl)-
CAS Number:
1004-77-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD07779260
IUPAC Name:
2-propan-2-ylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-7(2)8-5-3-4-6-9(8)10/h7-8H,3-6H2,1-2H3
InChI Key:
SDJUYPUXVFDUFF-UHFFFAOYSA-N
SMILES:
CC(C1CCCCC1=O)C
EC Number:
213-728-0
Properties
Computed Properties
 
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
2-Isopropylcyclohexanone 
1004-77-9 
isopropylcyclohexanone 
PubChem20246 
2-isopropyl-cyclohexanone 
AC1Q6EOJ 
SCHEMBL919145 
AC1L2E78 
2-propan-2-ylcyclohexan-1-one 
CTK3J8975 
Cyclohexanone,2-(1-methylethyl)- 
NSC-21122 
Cyclohexanone, 2-(1-methylethyl)- 
NSC120517 
AKOS011895039 
MCULE-1690446832 
NE44599 
NSC-120517 
AB1010098 
FT-0691728 
I14-7381 
F8880-6137 
Z1436472702 
2-(propan-2-yl)cyclohexan-1-one 
C9-H16-O 
CID70490 
AR-1E2962 
10099-20-4 
Cyclohexanone, 2-isopropyl- 
2-Isopropylcyclohexan-1-one 
SDJUYPUXVFDUFF-UHFFFAOYSA-N 
Isopropyl cyclohexanone 
NSC21122 
EINECS 213-728-0 
Literature
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