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2-Ketopelargonic Acid
[CAS# 13139-94-1]

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CAS#: 13139-94-1
Product: 2-Ketopelargonic Acid
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Identification
Name 2-Ketopelargonic Acid
Synonyms 2-Ketopelargonic Acid; Nsc90358; 2-Oxo-Nonanoic Acid
Molecular Structure CAS#: 13139-94-1, 2-Ketopelargonic Acid
Molecular Formula C9H16O3
Molecular Weight 172.22
CAS Registry Number 13139-94-1
SMILES C(C)CCCCCC(=O)C(=O)O
InChI 1S/C9H16O3/c1-2-3-4-5-6-7-8(10)9(11)12/h2-7H2,1H3,(H,11,12)
InChIKey SHDOPXQMNJDYDK-UHFFFAOYSA-N
Properties
Density 1.02g/cm3 (Cal.)
Boiling point 254.882°C at 760 mmHg (Cal.)
Flash point 122.207°C (Cal.)
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