Potassium;3-Hydroxybutanoate

Synopsis, Chemistry

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Also known as: 3ief1q0cvc, Potassium;3-hydroxybutanoate, 39650-04-9, Potassium beta-hydroxybutyric acid, Butanoic acid, 3-hydroxy-, potassium salt (1:1), Unii-3ief1q0cvc

Molecular Formula

C₄H₇KO₃

Molecular Weight

142.19 g/mol

InChI Key

CINYGFCEISABSR-UHFFFAOYSA-M

FDA UNII

3IEF1Q0CVC

1 2D Structure

Potassium;3-Hydroxybutanoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;3-hydroxybutanoate

2.1.2 InChI

InChI=1S/C4H8O3.K/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1

2.1.3 InChI Key

CINYGFCEISABSR-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC(CC(=O)[O-])O.[K+]

2.2 Other Identifiers

2.2.1 UNII

3IEF1Q0CVC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3ief1q0cvc

2. Potassium;3-hydroxybutanoate

3. 39650-04-9

4. Potassium Beta-hydroxybutyric Acid

5. Butanoic Acid, 3-hydroxy-, Potassium Salt (1:1)

6. Unii-3ief1q0cvc

7. Potassium Beta-hydroxybutyrate

8. Schembl1284427

9. Amy10055

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₄H₇KO₃
Molecular Weight	142.19 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	142.00322557 g/mol
Monoisotopic Mass	142.00322557 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