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617-12-9

617-12-9 Structure

617-12-9 Structure
IdentificationBack Directory
[Name]

CHORISMIC ACID
[CAS]

617-12-9
[Synonyms]

Chorismate
chorismicaci
CHORISMIC ACID
(-)-Chorismate
CHORISMIC ACID FREE ACID FROM &
chorismic acid from enterobacter aerogenes
ChorisMic acid froM Enterobacter aerogenes >=80%
2-[(3-Carboxy-6β-hydroxy-2,4-cyclohexadiene-1α-yl)oxy]acrylic acid
(3R,4R)-3-((1-carboxyvinyl)oxy)-4-hydroxycyclohexa-1,5-dienecarboxylic acid
(3R)-3β-(1-Carboxyethenyloxy)-4α-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
TRANS-3-[(1-CARBOXYETHENYL)OXY]-4-HYDROXY-1,5-CYCLOHEXADIENE-1-CARBOXYLIC ACID
(3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3R,4R)-
1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyvinyl)oxy]-4-hydroxy-, (3R-trans)-
1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3R-trans)-
(-)-Chorismic acid (3R-trans)-3-(1-carboxyvinyloxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
Chorismic acid from Enterobacter aerogenes,trans-3-([1-Carboxyethenyl]oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
[Molecular Formula]

C10H10O6
[MDL Number]

MFCD00135935
[MOL File]

617-12-9.mol
[Molecular Weight]

226.18
Chemical PropertiesBack Directory
[Melting point ]

105-108° (dec)
[alpha ]

D21 -274° (c = 0.16 in water)
[Boiling point ]

556.1±50.0 °C(Predicted)
[density ]

1.49±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

powder
[pka]

3.59±0.11(Predicted)
[InChI]

1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
[InChIKey]

WTFXTQVDAKGDEY-HTQZYQBOSA-N
[SMILES]

O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

45-20/21/22-36/37/38-63
[Safety Statements ]

53-23-36/37/39-45
[WGK Germany ]

3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Carc. 1B
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Chorismic acid is a metabolite generally used in the study of chorismate-prephenate rearrangement and to synthesize chorismate derivatives.
[Definition]

ChEBI: The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid.
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