ChemicalBook--->CAS DataBase List--->19053-94-2

19053-94-2

19053-94-2 Structure

19053-94-2 Structure
IdentificationBack Directory
[Name]

2-Acetyl-3,5-dihydroxyphenylacetic acid
[CAS]

19053-94-2
[Synonyms]

Curvulinic acid
Curvulinic acid >=95% (LC/MS-UV)
2-Acetyl-3,5-dihydroxyphenylacetic acid
[Molecular Formula]

C10H10O5
[MDL Number]

MFCD24393722
[MOL File]

19053-94-2.mol
[Molecular Weight]

210.18
Chemical PropertiesBack Directory
[Boiling point ]

466.4±24.0 °C(Predicted)
[density ]

1.446±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: soluble; Methanol: soluble
[form ]

A solid
[pka]

3.96±0.10(Predicted)
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C10H10O5/c1-5(11)10-6(3-9(14)15)2-7(12)4-8(10)13/h2,4,12-13H,3H2,1H3,(H,14,15)
[InChIKey]

JAHPPWGWEUVLMS-UHFFFAOYSA-N
[SMILES]

O=C(C1=C(C=C(C=C1O)O)CC(O)=O)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

Curvulinic acid is a fungal metabolite originally isolated from C. siddiqui. It inhibits C. bursa-pastoris seed germination, root growth, and shoot growth by 73.3, 73.5, and 66.7%, respectively, when used at a concentration of 600 μg/ml.
[Uses]

Curvulinic acid is a phytotoxic compound, has herbicidal activity[1].
[Definition]

ChEBI: 2-(2-acetyl-3,5-dihydroxyphenyl)acetic acid is an aromatic ketone.
[References]

[1] Jun Li, et al.Herbicidal activity of curvuiinic acid isolated from Nimbya alternantherae.Nat Prod Commun. 2012 Jan;7(1):51-2. PMID:22428243
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