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19910-12-4 | Butaneperoxoic acid, 3-methyl-
CAS No: 19910-12-4 Catalog No: AG002BX1 MDL No:
Product Description
Catalog Number:
AG002BX1
Chemical Name:
Butaneperoxoic acid, 3-methyl-
CAS Number:
19910-12-4
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
IUPAC Name:
3-methylbutaneperoxoic acid
InChI:
InChI=1S/C5H10O3/c1-4(2)3-5(6)8-7/h4,7H,3H2,1-2H3
InChI Key:
GTLLKMCVRPVGBK-UHFFFAOYSA-N
SMILES:
OOC(=O)CC(C)C
Properties
Complexity:
77.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Supplement use in sport: is there a potentially dangerous incongruence between rationale and practice? | Journal of occupational medicine and toxicology (London, England) 20070101 |
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