This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Indice di rifrazione
n20/D 1.419 (lit.)
Punto di infiammabilità (°F)
183.2 °F - closed cup
Punto di infiammabilità (°C)
84 °C - closed cup
Punto di ebollizione (°C)
181℃ (lit.)
Punto di fusione (°C)
−43℃ (lit.)
Peso molecolare
131.130 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
131.066 Da
Monoisotopic Mass
131.066 Da
Topological Polar Surface Area
43.400 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
117.000
Isotope Atom Count
1
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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Recensioni
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What is the purity of this product?
This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 61973-42-0, the molecular formula is C6H10O3, and the molecular weight is 131.13 g/mol. InChIKey XYIBRDXRRQCHLP-HOSYLAQJSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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