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Calcium Butyrate (~90%)

CAT: 0572-TRC-C145045-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C145045-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5743-36-2
Synonyms
Butanoic Acid, Calcium Salt; Butyric Acid, Calcium Salt; Greencab 70 Coated;
Hazard Statement
Causes skin irritation.
Smiles
CCCC(=O)[O-].CCCC(=O)[O-].[Ca+2]
Molecular Formula
C4H8Ca0.5O2
Molecular Weight
108.14
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Calcium butyrate
CAS Number5743-36-2
PubChem CID6453483
IUPAC Namecalcium butanoate
Molecular FormulaC8H14CaO4
Molecular Weight214.27
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity44
SMILES
CCCC(=O)[O-].CCCC(=O)[O-].[Ca+2]
InChI
InChI=1S/2C4H8O2.Ca/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);/q;;+2/p-2
InChIKey
FYPVXEILSNEKOO-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium butyrate
CAS: 5743-36-2
CID: 6453483
Formula: C8H14CaO4
MW: 214.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.27
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass214.0517998
Monoisotopic Mass214.0517998
Topological Polar Surface Area80.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity44
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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