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19909-70-7 | 3,4,5,6-Octanetetrone, 2,2,7,7-tetramethyl-
CAS No: 19909-70-7 Catalog No: AG002BVX MDL No:
Product Description
Catalog Number:
AG002BVX
Chemical Name:
3,4,5,6-Octanetetrone, 2,2,7,7-tetramethyl-
CAS Number:
19909-70-7
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
2,2,7,7-tetramethyloctane-3,4,5,6-tetrone
InChI:
InChI=1S/C12H18O4/c1-11(2,3)9(15)7(13)8(14)10(16)12(4,5)6/h1-6H3
InChI Key:
VZPFAZLOXSSWIR-UHFFFAOYSA-N
SMILES:
O=C(C(=O)C(C)(C)C)C(=O)C(=O)C(C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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