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22935-40-6 | 1,2-Cyclobutanedione, 3,4-bis(1,1-dimethylethyl)-
CAS No: 22935-40-6 Catalog No: AG002LKP MDL No:
Product Description
Catalog Number:
AG002LKP
Chemical Name:
1,2-Cyclobutanedione, 3,4-bis(1,1-dimethylethyl)-
CAS Number:
22935-40-6
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
3,4-ditert-butylcyclobutane-1,2-dione
InChI:
InChI=1S/C12H20O2/c1-11(2,3)7-8(12(4,5)6)10(14)9(7)13/h7-8H,1-6H3
InChI Key:
OVSWXTUVTXJGLB-UHFFFAOYSA-N
SMILES:
CC(C1C(=O)C(=O)C1C(C)(C)C)(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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