DL-3-Hydroxybutyric acid sodium salt, min.98% (NMR)

Name: DL-3-Hydroxybutyric acid sodium salt
Brand: Chempure

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CAS Number

150-83-4

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IUPAC name	sodium;3-hydroxybutanoate
inchi	InChI=1S/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
inchi key	NBPUSGBJDWCHKC-UHFFFAOYSA-M
molecular formula	C4H7NaO3
synonyms	150-83-4 sodium 3-hydroxybutanoate Sodium 3-hydroxybutyrate DL-3-Hydroxybutyric Acid Sodium Salt 306-31-0
Compound Description	Sodium 3-hydroxybutyrate is an organic sodium salt resulting from the replacement of the proton from the carboxy group of 3-hydroxybutyric acid by a sodium ion. It has a role as a human metabolite. It contains a 3-hydroxybutyrate.

Computed Properties

Molecular Weight:	126.09 g/mol
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	126.02928836 g/mol
Monoisotopic Mass:	126.02928836 g/mol
Topological Polar Surface Area:	60.4 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	73.7
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: DT8529

DL-3-Hydroxybutyric acid sodium salt, min.98% (NMR)

Product No: DT8529

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