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77387-57-6 | (3,5-Di-tert-butylphenyl);methanol
CAS No: 77387-57-6 Catalog No: AG003IPS MDL No:MFCD03844785
Product Description
Catalog Number:
AG003IPS
Chemical Name:
(3,5-Di-tert-butylphenyl);methanol
CAS Number:
77387-57-6
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
MDL Number:
MFCD03844785
IUPAC Name:
(3,5-ditert-butylphenyl)methanol
InChI:
InChI=1S/C15H24O/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-9,16H,10H2,1-6H3
InChI Key:
VHYHRNYPVNFGNR-UHFFFAOYSA-N
SMILES:
OCc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Hydrogen atom abstraction reactions from tertiary amines by benzyloxyl and cumyloxyl radicals: influence of structure on the rate-determining formation of a hydrogen-bonded prereaction complex. | The Journal of organic chemistry 20110805 |
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