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774-65-2 | tert-Butyl Benzoate , 98%
CAS No: 774-65-2 Catalog No: AG003UKH MDL No:MFCD00048244
Product Description
Catalog Number:
AG003UKH
Chemical Name:
tert-Butyl Benzoate , 98%
CAS Number:
774-65-2
MDL Number:
MFCD00048244
IUPAC Name:
tert-butyl benzoate
InChI:
InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:
LYDRKKWPKKEMNZ-UHFFFAOYSA-N
EC Number:
212-267-2
NSC Number:
42534
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Molecular recognition in Mn-catalyzed C-H oxidation. Reaction mechanism and origin of selectivity from a DFT perspective. | Dalton transactions (Cambridge, England : 2003) 20090814 |
| A route to 1,4-disubstituted aromatics and its application to the synthesis of the antibiotic culpin. | The Journal of organic chemistry 20081017 |
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