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Sodium 4-Hydroxypentanoate

CAT: 0127-OR1028448-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1028448-01Size:100 mg
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CAS Number
56279-37-9
Synonyms
Sodium;4-hydroxypentanoate
Purity
95%
Smiles
CC(CCC(=O)[O-])O.[Na+]

Chemical Information

Sodium 4-hydroxypentanoate
CAS Number56279-37-9
PubChem CID23709111
IUPAC Namesodium 4-hydroxypentanoate
Molecular FormulaC5H9NaO3
Molecular Weight140.11
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
CC(CCC(=O)[O-])O.[Na+]
InChI
InChI=1S/C5H10O3.Na/c1-4(6)2-3-5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1
InChIKey
MEGFTCUCXBRUTB-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 4-hydroxypentanoate
CAS: 56279-37-9
CID: 23709111
Formula: C5H9NaO3
MW: 140.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.11
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass140.04493843
Monoisotopic Mass140.04493843
Topological Polar Surface Area60.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-W107263-014-Hydroxypentanoate (sodium)
T203197-014-Hydroxypentanoate sodium
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