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114522-42-8 | 1,3,4-Oxathiazol-2-one, 5-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS No: 114522-42-8 Catalog No: AG000ELY MDL No:
Product Description
Catalog Number:
AG000ELY
Chemical Name:
1,3,4-Oxathiazol-2-one, 5-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS Number:
114522-42-8
Molecular Formula:
C16H21NO3S
Molecular Weight:
307.4078
IUPAC Name:
5-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3,4-oxathiazol-2-one
InChI:
InChI=1S/C16H21NO3S/c1-15(2,3)10-7-9(13-17-21-14(19)20-13)8-11(12(10)18)16(4,5)6/h7-8,18H,1-6H3
InChI Key:
DWWNMIPPHGZAHO-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1O)C(C)(C)C)c1nsc(=O)o1)(C)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.408g/mol
Monoisotopic Mass:
307.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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