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10250-48-3,MFCD00043646
Catalog No.:AA0007IQ
10250-48-3 | Methyl tert-butylacetate
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1g
1 week  
$165.00   $115.00
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5g
1 week  
$208.00   $145.00
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25g
1 week  
$411.00   $288.00
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Technical Information
Catalog Number:
AA0007IQ
Chemical Name:
Methyl tert-butylacetate
CAS Number:
10250-48-3
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD00043646
IUPAC Name:
methyl 3,3-dimethylbutanoate
InChI:
InChI=1S/C7H14O2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3
InChI Key:
DXBOTVWRXLQVMG-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C)(C)C
EC Number:
233-590-5
Properties
Computed Properties
 
Complexity:
100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
Methyl tert-butylacetate 
10250-48-3 
ACMC-1C3GE 
SCHEMBL167149 
Methyl 3,3-dimethylbutanoate # 
CTK8C5559 
METHYL-TERT-BUTYL ACETATE 
DTXSID70145199 
tert-Butylacetic acid methyl ester 
AC1L2529 
ZINC4825881 
3,3-Dimethylbutyric acid methyl ester 
Methyl 3,3-dimethylbutanoate 
AKOS008904796 
3,3-dimethyl-butyric acid methyl ester 
DA-16210 
TC-166129 
FT-0628317 
FT-0628809 
J-000706 
I14-55951 
CID66298 
C7-H14-O2 
Methyl 3,3-dimethylbutyrate 
Butanoic acid, 3,3-dimethyl-, methyl ester 
Butyric acid, 3,3-dimethyl-, methyl ester 
DXBOTVWRXLQVMG-UHFFFAOYSA-N 
MFCD00043646 
EINECS 233-590-5 
methyl t-butylacetate 
Literature
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