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14909-78-5 | Propaneperoxoic acid, 2,2-dimethyl-
CAS No: 14909-78-5 Catalog No: AG001LDI MDL No:
Product Description
Catalog Number:
AG001LDI
Chemical Name:
Propaneperoxoic acid, 2,2-dimethyl-
CAS Number:
14909-78-5
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
IUPAC Name:
2,2-dimethylpropaneperoxoic acid
InChI:
InChI=1S/C5H10O3/c1-5(2,3)4(6)8-7/h7H,1-3H3
InChI Key:
YVAACGXAZGGQSM-UHFFFAOYSA-N
SMILES:
OOC(=O)C(C)(C)C
Properties
Complexity:
90.3
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:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Di-μ-pivalato-κO,O':O';κO:O,O'-bis-[(methanol-κO)bis-(2,2,6,6-tetra-methylhepta-ne-3,5-dionato)praseo-dymium(III)]. | Acta crystallographica. Section E, Structure reports online 20111101 |
| Intermolecular recognition and crystal packing in molybdenum and tungsten coordination polymers as deduced from powder X-ray diffraction data. | Chemical communications (Cambridge, England) 20020321 |
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