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2931-08-0

2931-08-0 Structure

2931-08-0 Structure
IdentificationBack Directory
[Name]

1-CARBOXY-4-HYDROXY-ALPHA-OXO-2,5-CYCLOHEXADIENE-1-PROPANOIC ACID BARIUM SALT
[CAS]

2931-08-0
[Synonyms]

prephenic acid barium
Prephenicacidbariumsal
PREPHENIC ACID BARIUM SALT
Prephenicacidbariumsal Impurity
Prephenic acid barium salt >=75%
1-carboxy-4-hydroxy-α-oxo-2,5-cyclohexadiene-1-propanoic acid
1-CARBOXY-4-HYDROXY-ALPHA-OXO-2,5-CYCLOHEXADIENE-1-PROPANOIC ACID BARIUM SALT
1-(2-Carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-dienecarboxylic acid, barium salt
2,5-Cyclohexadiene-1-propanoic acid, 1-carboxy-4-hydroxy-α-oxo-, barium salt (1:1)
[Molecular Formula]

C10H12BaO6
[MDL Number]

MFCD00056630
[MOL File]

2931-08-0.mol
[Molecular Weight]

365.53
Chemical PropertiesBack Directory
[storage temp. ]

-20°C
[form ]

powder
[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
[SMILES]

[Ba++].OC1C=CC(CC(=O)C([O-])=O)(C=C1)C([O-])=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332
[Precautionary statements ]

P261-P264-P270-P271-P301+P312-P304+P340+P312
[Hazard Codes ]

T
[Risk Statements ]

23/24/25-36/37/38
[Safety Statements ]

22-26-36/37-45
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

Prephenic Acid Barium Salt (Mixture of Diastereomers) is an intermediate in the biosynthesis of phenylalanine and tyrosine in plants and bacteria.
[Biochem/physiol Actions]

Intermediate in the biosynthesis of aromatic amino acids in many species.
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