Calcium phenylpyruvate

CAT: 0024-sc-495877Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-495877Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

51828-93-4

Chemical Information

Calcium 2-oxo-3-phenylpropionate

CAS Number	51828-93-4
PubChem CID	6099006
IUPAC Name	calcium bis(2-oxo-3-phenylpropanoate)
Molecular Formula	C18H14CaO6
Molecular Weight	366.4
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	175

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

CAS: 51828-93-4

CID: 6099006

Formula: C18H14CaO6

MW: 366.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	366.0416290
Monoisotopic Mass	366.0416290
Topological Polar Surface Area	114 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	175
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
TRC-C145763-500MG	Calcium Phenylpyruvate
RM-P082911-01	Calcium Phenylpyruvate Impurity 11
RM-P082908-01	Calcium Phenylpyruvate Impurity 8
RM-P082901-01	Calcium Phenylpyruvate Impurity 1
RM-P082910-01	Calcium Phenylpyruvate Impurity 10
RM-P082905-01	Calcium Phenylpyruvate Impurity 5
RM-P082903-01	Calcium Phenylpyruvate Impurity 3
RM-P082906-01	Calcium Phenylpyruvate Impurity 6
RM-P082904-01	Calcium Phenylpyruvate Impurity 4
RM-P082914-01	Calcium Phenylpyruvate Impurity 14