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Valeric Acid Sodium Salt

CAT: 0572-TRC-V091420-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V091420-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6106-41-8
Synonyms
Pentanoic acid, sodium salt (1:1); Pentanoic acid, sodium salt (9CI); Valeric acid, sodium salt (8CI); Sodium n-pentanoate; Sodium n-valerate; Sodium pentanoate; Sodium valerate
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
[Na+].CCCCC(=O)[O-]
Molecular Formula
C5 H9 O2 . Na
Molecular Weight
124.11
InChI
InChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
Additionnal Information
IUPAC name: sodium;pentanoate
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Sodium Valerate
CAS Number6106-41-8
PubChem CID3669864
IUPAC Namesodium pentanoate
Molecular FormulaC5H9NaO2
Molecular Weight124.11
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity63
SMILES
CCCCC(=O)[O-].[Na+]
InChI
InChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
LHYPLJGBYPAQAK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Valerate
CAS: 6106-41-8
CID: 3669864
Formula: C5H9NaO2
MW: 124.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.11
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass124.05002381
Monoisotopic Mass124.05002381
Topological Polar Surface Area40.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity63.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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