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26511-61-5 | Butanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, butyl ester
CAS No: 26511-61-5 Catalog No: AG002TJC MDL No:
Product Description
Catalog Number:
AG002TJC
Chemical Name:
Butanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, butyl ester
CAS Number:
26511-61-5
Molecular Formula:
C16H32O6
Molecular Weight:
320.4217
IUPAC Name:
butyl 3,3-bis(tert-butylperoxy)butanoate
InChI:
InChI=1S/C16H32O6/c1-9-10-11-18-13(17)12-16(8,21-19-14(2,3)4)22-20-15(5,6)7/h9-12H2,1-8H3
InChI Key:
FGTGLSICSXCNJM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CC(OOC(C)(C)C)(OOC(C)(C)C)C
EC Number:
247-754-9
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.426g/mol
Monoisotopic Mass:
320.22g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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