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14160-38-4 | [Bi-1,4-cyclohexadien-1-yl]-3,3',6,6'-tetrone, 5,5'-bis(1,1-dimethylethyl)-
CAS No: 14160-38-4 Catalog No: AG001GOL MDL No:
Product Description
Catalog Number:
AG001GOL
Chemical Name:
[Bi-1,4-cyclohexadien-1-yl]-3,3',6,6'-tetrone, 5,5'-bis(1,1-dimethylethyl)-
CAS Number:
14160-38-4
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
IUPAC Name:
2-tert-butyl-6-(5-tert-butyl-3,6-dioxocyclohexa-1,4-dien-1-yl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C20H22O4/c1-19(2,3)15-9-11(21)7-13(17(15)23)14-8-12(22)10-16(18(14)24)20(4,5)6/h7-10H,1-6H3
InChI Key:
UONJIDASBODQID-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.392g/mol
Monoisotopic Mass:
326.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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