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10228-99-6,MFCD16620942
Catalog No.:AA00070U
10228-99-6 | Ethyl 4,4-dimethylpentanoate
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Purity
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Price(USD)
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250mg
95%
1 week  
$208.00   $146.00
- +
1g
95%
1 week  
$434.00   $304.00
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Technical Information
Catalog Number:
AA00070U
Chemical Name:
Ethyl 4,4-dimethylpentanoate
CAS Number:
10228-99-6
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD16620942
IUPAC Name:
ethyl 4,4-dimethylpentanoate
InChI:
InChI=1S/C9H18O2/c1-5-11-8(10)6-7-9(2,3)4/h5-7H2,1-4H3
InChI Key:
PUJGGPCGKBGBAD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(C)(C)C
Properties
Computed Properties
 
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
ethyl 4,4-dimethylpentanoate 
10228-99-6 
DA-16225 
FT-0732356 
Pentanoic acid, 4,4-dimethyl-, ethyl ester 
SCHEMBL3368077 
CTK0G7684 
DTXSID10567614 
MFCD16620942 
ZINC34447596 
AKOS030524915 
4,4-Dimethylpentanoic acid ethyl ester 
Literature
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