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163489-63-2 | 2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-hydroxy-
CAS No: 163489-63-2 Catalog No: AG001U5J MDL No:
Product Description
Catalog Number:
AG001U5J
Chemical Name:
2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-hydroxy-
CAS Number:
163489-63-2
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
IUPAC Name:
5,7-ditert-butyl-3-hydroxy-3H-1-benzofuran-2-one
InChI:
InChI=1S/C16H22O3/c1-15(2,3)9-7-10-12(17)14(18)19-13(10)11(8-9)16(4,5)6/h7-8,12,17H,1-6H3
InChI Key:
ZPYXMYOWOYGFRD-UHFFFAOYSA-N
SMILES:
O=C1Oc2c(C1O)cc(cc2C(C)(C)C)C(C)(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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