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136662-26-5 | Propaneperoxoic acid, 2-methyl-, 1,1-dimethylbutyl ester
CAS No: 136662-26-5 Catalog No: AG00126G MDL No:
Product Description
Catalog Number:
AG00126G
Chemical Name:
Propaneperoxoic acid, 2-methyl-, 1,1-dimethylbutyl ester
CAS Number:
136662-26-5
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
2-methylpentan-2-yl 2-methylpropaneperoxoate
InChI:
InChI=1S/C10H20O3/c1-6-7-10(4,5)13-12-9(11)8(2)3/h8H,6-7H2,1-5H3
InChI Key:
QZAQRYGCOFSLIW-UHFFFAOYSA-N
SMILES:
CCCC(OOC(=O)C(C)C)(C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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