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29585-93-1 | Peroxide, 1,1-dimethylethyl ethenyl (9CI)
CAS No: 29585-93-1 Catalog No: AG002YTV MDL No:
Product Description
Catalog Number:
AG002YTV
Chemical Name:
Peroxide, 1,1-dimethylethyl ethenyl (9CI)
CAS Number:
29585-93-1
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
2-ethenylperoxy-2-methylpropane
InChI:
InChI=1S/C6H12O2/c1-5-7-8-6(2,3)4/h5H,1H2,2-4H3
InChI Key:
NIYSQGVPHFEHGJ-UHFFFAOYSA-N
SMILES:
C=COOC(C)(C)C
Properties
Complexity:
71.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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