Calcium butyrate

CAT: 0926-FAA74336Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FAA74336Size:50 g

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CAS Number

5743-36-2

MDL Number

MFCD00045967

Smiles

CCCC (=O) [O-].CCCC (=O) [O-].[Ca+2]

Molecular Formula

C8H14CaO4

Molecular Weight

214.27 g/mol

Controlled

Chemical Information

Calcium butyrate

CAS Number	5743-36-2
PubChem CID	6453483
IUPAC Name	calcium butanoate
Molecular Formula	C8H14CaO4
Molecular Weight	214.27
Topological Polar Surface Area	80.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	44

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

CAS: 5743-36-2

CID: 6453483

Formula: C8H14CaO4

MW: 214.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.27
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	214.0517998
Monoisotopic Mass	214.0517998
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	44
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
IN12622-01	Calcium butyrate
443788-01	Calcium Butyrate (~90%)
IN12039-01	Calcium butyrate hydrate
C01050-01	Calcium butyrate trihydrate 98%
sc-486869	Calcium 2-Hydroxy-4- (methylthio) butyrate
053915	Citronellyl Butyrate for Synthesis (Citronellol Butyrate)
106-29-6	Cis-3-Hexenyl butyrate (Leaf butyrate)
B1415-5.1	Clevidipine Butyrate
HY-W166491	Citronellyl butyrate
591351	Geranyl butyrate