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776-79-4

776-79-4 Structure

776-79-4 Structure
IdentificationBack Directory
[Name]

3-(2-CARBOXYPHENYL)PROPIONIC ACID
[CAS]

776-79-4
[Synonyms]

NSC 16637
Tetralic acid
2-Carboxyhydrocinnamic acid
o-Carboxyhydrocinnamic acid
O-CARBOXYPHENYLPROPIONIC ACID
2-Carboxybenzenepropanic Acid
2-CARBOXYPHENYLPROPANOIC ACID
4-carboxybenzenepropanoic acid
2-CARBOXYBENZENEPROPANOIC ACID
3-(2-CARBOXYPHENYL)PROPIONIC ACID
Benzenepropanoic acid, 2-carboxy-
3-(2-Carboxyphenyl)propanoic acid
2-(2-Carboxyethyl)benzoic acid 98%
3-(2-Carboxyphenyl)propionic acid 99%
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C10H10O4
[MDL Number]

MFCD00016550
[MOL File]

776-79-4.mol
[Molecular Weight]

194.18
Chemical PropertiesBack Directory
[Melting point ]

166-168 °C (lit.)
[Boiling point ]

394.4±17.0 °C(Predicted)
[density ]

1.330±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

3.99±0.36(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C10H10O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
[InChIKey]

VEEXBQLWMFMATJ-UHFFFAOYSA-N
[SMILES]

OC(=O)CCc1ccccc1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

37/38-41
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2917399590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

3-(2-Carboxyphenyl) propionic acid is a chemical compound that belongs to the group of phytoalexins. It is a synthetic compound that is used as a raw material for the synthesis of various pharmaceuticals and additional organic compounds. 3-(2-Carboxyphenyl) propionic acid has shown luminescence properties, which may be due to its oxidation products. The isoquinoline alkaloids present in this compound are responsible for its anti-inflammatory effects. 3-(2-Carboxyphenyl) propionic acid can also be found in conjugates with chloride or other organic acids, such as diazide, which inhibit bacterial growth and increase the solubility of this substance.
[General Description]

3-(2-Carboxyphenyl)propionic acid (2-(2-carboxyethyl)benzoic acid) is an aromatic acid that undergoes cyclization to generate 1-indanone on heating. It is formed during the reaction of β-tetralone with KO2 in toluene.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(2-CARBOXYPHENYL)PROPIONIC ACID(776-79-4)1HNMR
3-(2-CARBOXYPHENYL)PROPIONIC ACID(776-79-4)IR
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