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17854-51-2 | 2-Butenediperoxoic acid, mono(1,1-dimethylethyl) ester, (2Z)- (9CI)
CAS No: 17854-51-2 Catalog No: AG00264S MDL No:
Product Description
Catalog Number:
AG00264S
Chemical Name:
2-Butenediperoxoic acid, mono(1,1-dimethylethyl) ester, (2Z)- (9CI)
CAS Number:
17854-51-2
IUPAC Name:
(Z)-4-tert-butylperoxy-4-oxobut-2-eneperoxoic acid
InChI:
InChI=1S/C8H12O6/c1-8(2,3)14-13-7(10)5-4-6(9)12-11/h4-5,11H,1-3H3/b5-4-
InChI Key:
RBZDHWBQZNJHBZ-PLNGDYQASA-N
EC Number:
241-809-0
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
204.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.178g/mol
Monoisotopic Mass:
204.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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