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10100-94-4

10100-94-4 | Hexaneperoxoic acid, 1,1-dimethylethyl ester

CAS No: 10100-94-4 Catalog No: AG0003HD MDL No:

Product Description

Catalog Number:
AG0003HD
Chemical Name:
Hexaneperoxoic acid, 1,1-dimethylethyl ester
CAS Number:
10100-94-4
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
tert-butyl hexaneperoxoate
InChI:
InChI=1S/C10H20O3/c1-5-6-7-8-9(11)12-13-10(2,3)4/h5-8H2,1-4H3
InChI Key:
SGGROIVRVHNDJL-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OOC(C)(C)C

Properties

Complexity:
147  
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:
7  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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