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Calcium Phenylpyruvate

CAT: 0572-TRC-C145763-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C145763-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51828-93-4
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[Ca+2].[O-]C(=O)C(=O)Cc1ccccc1.[O-]C(=O)C(=O)Cc2ccccc2
Molecular Formula
(C9H7O3)2Ca
Molecular Weight
366.38
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Calcium 2-oxo-3-phenylpropionate
CAS Number51828-93-4
PubChem CID6099006
IUPAC Namecalcium bis(2-oxo-3-phenylpropanoate)
Molecular FormulaC18H14CaO6
Molecular Weight366.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity175
SMILES
C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2]
InChI
InChI=1S/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2
InChIKey
BKMMOJVSLBZNTK-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium 2-oxo-3-phenylpropionate
CAS: 51828-93-4
CID: 6099006
Formula: C18H14CaO6
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass366.0416290
Monoisotopic Mass366.0416290
Topological Polar Surface Area114 Ų
Heavy Atom Count25
Formal Charge0
Complexity175
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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Alternative Products

CatalogName
sc-495877Calcium phenylpyruvate
RM-P082911-01Calcium Phenylpyruvate Impurity 11
RM-P082908-01Calcium Phenylpyruvate Impurity 8
RM-P082901-01Calcium Phenylpyruvate Impurity 1
RM-P082910-01Calcium Phenylpyruvate Impurity 10
RM-P082905-01Calcium Phenylpyruvate Impurity 5
RM-P082903-01Calcium Phenylpyruvate Impurity 3
RM-P082906-01Calcium Phenylpyruvate Impurity 6
RM-P082904-01Calcium Phenylpyruvate Impurity 4
RM-P082914-01Calcium Phenylpyruvate Impurity 14

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