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1975-14-0 | 2,5-Cyclohexadien-1-one, 4,4'-dioxybis[2,4,6-tris(1,1-dimethylethyl)-
CAS No: 1975-14-0 Catalog No: AG002AUR MDL No:
Product Description
Catalog Number:
AG002AUR
Chemical Name:
2,5-Cyclohexadien-1-one, 4,4'-dioxybis[2,4,6-tris(1,1-dimethylethyl)-
CAS Number:
1975-14-0
Molecular Formula:
C36H58O4
Molecular Weight:
554.8433
IUPAC Name:
2,4,6-tritert-butyl-4-(1,3,5-tritert-butyl-4-oxocyclohexa-2,5-dien-1-yl)peroxycyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C36H58O4/c1-29(2,3)23-19-35(33(13,14)15,20-24(27(23)37)30(4,5)6)39-40-36(34(16,17)18)21-25(31(7,8)9)28(38)26(22-36)32(10,11)12/h19-22H,1-18H3
InChI Key:
ALAZTEKRQOBGAD-UHFFFAOYSA-N
SMILES:
CC(C1(OOC2(C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
996
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.434g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.856g/mol
Monoisotopic Mass:
554.434g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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