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139055-00-8 | Benzenecarboperoxoic acid, 4-methyl-, 1,1-dimethylbutyl ester
CAS No: 139055-00-8 Catalog No: AG001A3N MDL No:
Product Description
Catalog Number:
AG001A3N
Chemical Name:
Benzenecarboperoxoic acid, 4-methyl-, 1,1-dimethylbutyl ester
CAS Number:
139055-00-8
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
2-methylpentan-2-yl 4-methylbenzenecarboperoxoate
InChI:
InChI=1S/C14H20O3/c1-5-10-14(3,4)17-16-13(15)12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3
InChI Key:
DHQSKXQWPRGXJW-UHFFFAOYSA-N
SMILES:
CCCC(OOC(=O)c1ccc(cc1)C)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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