Calcium butyrate hydrate

CAT: 0127-IN12039-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-IN12039-01Size:25 g

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CAS Number

99283-81-5

Synonyms

Calcium; butanoate; hydrate

Purity

95%

Smiles

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

Chemical Information

Calcium butyrate hydrate

CAS Number	99283-81-5
PubChem CID	160692046
IUPAC Name	calcium;butanoate;hydrate
Molecular Formula	C8H16CaO5
Molecular Weight	232.29
Topological Polar Surface Area	81.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	44

SMILES

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

InChI

InChI=1S/2C4H8O2.Ca.H2O/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);;1H2/q;;+2;/p-2

InChIKey

RPNLJQCXWURUPO-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 99283-81-5

CID: 160692046

Formula: C8H16CaO5

MW: 232.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.29
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	232.0623645
Monoisotopic Mass	232.0623645
Topological Polar Surface Area	81.3 Å²
Heavy Atom Count	14
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	4
Compound Is Canonicalized	Yes

Catalog	Name
IN12622-01	Calcium butyrate
IN12544-01	Calcium iodide hydrate
BUP15127-01	Fenoprofen Calcium hydrate
BUP18356-01	Mitiglinide calcium hydrate
BUP14615-01	Mupirocin calcium hydrate
IN12854-01	Calcium acetate hydrate
OR1012600	Calcium Dobesilate Hydrate
IN1390-01	Calcium nitrate hydrate
IN13152	Calcium DL-glycerate Hydrate
IN12012-01	Calcium Dl-Glycerate Hydrate

Catalog	Name
FAA74336	Calcium butyrate
443788-01	Calcium Butyrate (~90%)
C01050-01	Calcium butyrate trihydrate 98%
SEA55278-01	Calcium Dobesilate Hydrate
TRC-G412750-5G	Glubionate Calcium Hydrate
HY-B0682A-01	Mitiglinide (calcium hydrate)
T8148-01	Mupirocin calcium hydrate
T0184-01	Fenoprofen Calcium hydrate
466956-01	Tenivastatin Calcium Hydrate
GE2473-250g	Calcium acetate hydrate