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618070-31-8

618070-31-8 Structure

618070-31-8 Structure
IdentificationBack Directory
[Name]

1-(3-METHYLPHENYL)-2-OXO-3-PYRROLIDINEC&
[CAS]

618070-31-8
[Synonyms]

3-Pyrrolidinecarboxylic acid, 1-(3-methylphenyl)-2-oxo-
1-(3-Methylphenyl)-2-oxo-3-pyrrolidinecarboxylic acid 97%
JR-6453, 2-Oxo-1-m-tolylpyrrolidine-3-carboxylic acid, 97%
[Molecular Formula]

C12H13NO3
[MDL Number]

MFCD03932874
[MOL File]

618070-31-8.mol
[Molecular Weight]

219.24
Chemical PropertiesBack Directory
[Melting point ]

100-104 °C(lit.)
[Boiling point ]

518.8±50.0 °C(Predicted)
[density ]

1.297±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

3.52±0.20(Predicted)
[InChI]

1S/C12H13NO3/c1-8-3-2-4-9(7-8)13-6-5-10(11(13)14)12(15)16/h2-4,7,10H,5-6H2,1H3,(H,15,16)
[InChIKey]

CDYNQYZODLGTJT-UHFFFAOYSA-N
[SMILES]

Cc1cccc(c1)N2CCC(C(O)=O)C2=O
Safety DataBack Directory
[Hazard Codes ]

Xn,T
[Risk Statements ]

22-43-25
[Safety Statements ]

36/37-45
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[Storage Class]

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

Acute Tox. 3 Oral
Skin Sens. 1
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