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86725-93-1 | 5-Benzoxazolol, 2-methyl-6-(1,1,3,3-tetramethylbutyl)-
CAS No: 86725-93-1 Catalog No: AG004K8V MDL No:
Product Description
Catalog Number:
AG004K8V
Chemical Name:
5-Benzoxazolol, 2-methyl-6-(1,1,3,3-tetramethylbutyl)-
CAS Number:
86725-93-1
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
2-methyl-6-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-5-ol
InChI:
InChI=1S/C16H23NO2/c1-10-17-12-8-13(18)11(7-14(12)19-10)16(5,6)9-15(2,3)4/h7-8,18H,9H2,1-6H3
InChI Key:
JCJLOZPBUPNSFD-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)cc(c(c2)O)C(CC(C)(C)C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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