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82051-44-3 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-oxazolo[4,5-b]pyridin-2-yl-
CAS No: 82051-44-3 Catalog No: AG005CME MDL No:
Product Description
Catalog Number:
AG005CME
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-oxazolo[4,5-b]pyridin-2-yl-
CAS Number:
82051-44-3
Molecular Formula:
C20H24N2O2
Molecular Weight:
324.4168
IUPAC Name:
2,6-ditert-butyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
InChI:
InChI=1S/C20H24N2O2/c1-19(2,3)13-10-12(11-14(16(13)23)20(4,5)6)18-22-17-15(24-18)8-7-9-21-17/h7-11,23H,1-6H3
InChI Key:
JGEKWKRDPJKPIO-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)c1nc2c(o1)cccn2)C(C)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.424g/mol
Monoisotopic Mass:
324.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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