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n-Butylmalonic Acid
[CAS# 5917-45-3]

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Identification
Name n-Butylmalonic Acid
Synonyms 2-Butylmalonic Acid; 2-N-Butylmalonate; Butyl Malonic Acid
Molecular Structure CAS#: 5917-45-3, n-Butylmalonic Acid
Molecular Formula C7H12O4
Molecular Weight 160.17
CAS Registry Number 5917-45-3
SMILES C(C(C(O)=O)C(O)=O)CCC
InChI 1S/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey MCRZWYDXIGCFKO-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 333.1±25.0°C at 760 mmHg (Cal.)
Flash point 169.4±19.7°C (Cal.)
References
(1) Alexander R. Parent, James D. Blakemore, Gary W. Brudvig and Robert H. Crabtree. Wilkinson's iridium acetate trimer as a water-oxidation catalyst, Chem. Commun., 2011, 47, 11745.
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