Prephenic acid barium salt

CAT: 0926-FP75118-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FP75118-01Size:10 mg

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CAS Number

2931-08-0

MDL Number

MFCD00056630

Smiles

C1=CC (C=CC1O) (CC (=O) C (=O) [O-]) C (=O) [O-].[Ba+2]

Molecular Formula

C10H8BaO6

Molecular Weight

361.49 g/mol

Shipping Conditions

Dry Ice

Controlled

Chemical Information

prephenic acid barium salt

CAS Number	2931-08-0
PubChem CID	71308326
IUPAC Name	barium(2+);1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate
Molecular Formula	C10H8BaO6
Molecular Weight	361.49
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	367

SMILES

C1=CC(C=CC1O)(CC(=O)C(=O)[O-])C(=O)[O-].[Ba+2]

InChI

InChI=1S/C10H10O6.Ba/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14;/h1-4,6,11H,5H2,(H,13,14)(H,15,16);/q;+2/p-2

InChIKey

XXHDQWSGCJPALI-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 2931-08-0

CID: 71308326

Formula: C10H8BaO6

MW: 361.49

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.49
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	361.937335
Monoisotopic Mass	361.937335
Topological Polar Surface Area	118 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	367
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	2
Compound Is Canonicalized	Yes

Catalog	Name
OL46467	α-D-Lactose 1-phosphate barium salt
FP153420-01	3-Phosphoglyceric acid barium
FF111297-01	Fmoc-Tyr (SO3H) -OH barium salt
FC20640-01	2-Cyanoethyl phosphate barium salt hydrate
NA57558-01	Adenosine 3',5'-diphosphate barium salt
MS07457-01	D-Sedoheptulose-7-phosphate barium salt
MT45895	D-Tagatose-6-phosphate barium salt
MR05734-01	D-Ribose-5-phosphate barium salt hexahydrate
MF44480-01	D-Fructose 1-phosphate barium salt trihydrate
MM05048-01	D-Mannose-6-phosphate barium salt hydrate

Catalog	Name
sc-215747A	Prephenic acid barium salt
462976-01	Prephenic Acid Barium Salt (Mixture of Diastereomers)
P02870-01	Pentafluorobenzenesulfonic acid barium salt
T31345-01	Decanoic acid, barium salt
GX0195-100g	Chloranilic acid, barium salt
sc-361835	Chorismic acid barium salt
C07840	Chloranilic Acid Barium Salt
F03030-01	Fluorocitric acid barium salt
D49800-01	P-Diphenylaminesulfonic Acid Barium Salt
451275-01	Glyceric Acid 3-Phosphate Barium Salt