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17610-00-3 | Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-
CAS No: 17610-00-3 Catalog No: AG0021FH MDL No:MFCD00026298
Product Description
Catalog Number:
AG0021FH
Chemical Name:
Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-
CAS Number:
17610-00-3
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
MDL Number:
MFCD00026298
IUPAC Name:
3,5-ditert-butylbenzaldehyde
InChI:
InChI=1S/C15H22O/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-10H,1-6H3
InChI Key:
BRUITYMDHWNCIG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Enantioselective conjugate addition of boronic acids to enones catalyzed by O-monoacyltartaric acids. | Chemical communications (Cambridge, England) 20101107 |
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