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64277-87-8,MFCD03844786
Catalog No.:AA003IMZ
64277-87-8 | 3,5-Di-tert-butylbenzoic acid methyl ester
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5g
>98.0%(GC)
1 week  
$349.00   $244.00
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Technical Information
Catalog Number:
AA003IMZ
Chemical Name:
3,5-Di-tert-butylbenzoic acid methyl ester
CAS Number:
64277-87-8
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
MDL Number:
MFCD03844786
IUPAC Name:
methyl 3,5-ditert-butylbenzoate
InChI:
InChI=1S/C16H24O2/c1-15(2,3)12-8-11(14(17)18-7)9-13(10-12)16(4,5)6/h8-10H,1-7H3
InChI Key:
ZEIOQJMJXFVPOG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Computed Properties
 
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

Synonyms
 
Methyl 3,5-Di-tert-butylbenzoate 
64277-87-8 
ZEIOQJMJXFVPOG-UHFFFAOYSA-N 
ZINC2518355 
ANW-34843 
MFCD03844786 
KS-000016Z3 
AJ-37092 
AX8082980 
Methyl 3,5-bis(1,1-dimethylethyl)benzoate 
TC-123588 
D2695 
3,5-Di-tert-butylbenzoic Acid Methyl Ester 
AE-562/43460408 
3,5-DI-TERT-BUTYLBENZOICACIDMETHYLESTER 
ACMC-209nl9 
SCHEMBL2033863 
methyl 3,5-ditert-butylbenzoate 
CTK2A6413 
Methyl3,5-Di-tert-butylbenzoate 
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-, methyl ester 
DTXSID20533244 
Literature
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