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88972-91-2 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(6-methoxy-2-benzoxazolyl)-
CAS No: 88972-91-2 Catalog No: AG0046V5 MDL No:
Product Description
Catalog Number:
AG0046V5
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(6-methoxy-2-benzoxazolyl)-
CAS Number:
88972-91-2
Molecular Formula:
C22H27NO3
Molecular Weight:
353.4547
IUPAC Name:
2,6-ditert-butyl-4-(6-methoxy-1,3-benzoxazol-2-yl)phenol
InChI:
InChI=1S/C22H27NO3/c1-21(2,3)15-10-13(11-16(19(15)24)22(4,5)6)20-23-17-9-8-14(25-7)12-18(17)26-20/h8-12,24H,1-7H3
InChI Key:
SLGHTZUKZGPCSF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(n2)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.199g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.462g/mol
Monoisotopic Mass:
353.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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