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88408-51-9 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(5-methyl-4-isoxazolyl)-
CAS No: 88408-51-9 Catalog No: AG004F39 MDL No:
Product Description
Catalog Number:
AG004F39
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(5-methyl-4-isoxazolyl)-
CAS Number:
88408-51-9
Molecular Formula:
C18H25NO2
Molecular Weight:
287.3966
IUPAC Name:
2,6-ditert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenol
InChI:
InChI=1S/C18H25NO2/c1-11-13(10-19-21-11)12-8-14(17(2,3)4)16(20)15(9-12)18(5,6)7/h8-10,20H,1-7H3
InChI Key:
OUKHMIVYBFPRNT-UHFFFAOYSA-N
SMILES:
Cc1oncc1c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.403g/mol
Monoisotopic Mass:
287.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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