Sodium 2-oxobutyrate - CAS 2013-26-5
Catalog:
BB015668
Product Name:
Sodium 2-oxobutyrate
CAS:
2013-26-5
Synonyms:
Sodium 2-oxobutanoate; 2-Oxobutyric acid sodium salt; butyric acid, 2-oxo-, sodium salt; Sodium α-ketobutyrate
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BB015668
50 g
$580
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IUPAC Name: sodium;2-oxobutanoate
Description: Sodium 2-oxobutyrate is a useful research chemical compound.
Molecular Weight: 124.07
Molecular Formula: C4H5NaO3
Canonical SMILES: CCC(=O)C(=O)[O-].[Na+]
InChI: InChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
InChI Key: SUAMAHKUSIHRMR-UHFFFAOYSA-M
Boiling Point: 177.8 °C at 760 mmHg
Purity: 97%
Density: 1.182 g/cm3
Appearance: White to off-white solid
Storage: Store at 2-8 °C
MDL: MFCD00064194
LogP: -1.28460
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
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Complexity: 99.5
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 124.01363830
Formal Charge: 0
Heavy Atom Count: 8
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 124.01363830
Rotatable Bond Count: 2
Topological Polar Surface Area: 57.2 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
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