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16404-94-7

16404-94-7 Structure

16404-94-7 Structure
IdentificationBack Directory
[Name]

(S)-(-)-4-OXO-2-AZETIDINECARBOXYLIC ACID
[CAS]

16404-94-7
[Synonyms]

(S)-4-Oxoazetidine-2-carboxylic acid
(2S)-4-oxoazetidine-2-carboxylic acid
(S)-(-)-4-OXO-2-AZETIDINECARBOXYLIC ACID
2-Azetidinecarboxylicacid, 4-oxo-, (2S)-
(S)-(-)-4-Oxo-2-azetidinecarboxylic acid 98%
[Molecular Formula]

C4H5NO3
[MDL Number]

MFCD00799571
[MOL File]

16404-94-7.mol
[Molecular Weight]

115.09
Chemical PropertiesBack Directory
[Melting point ]

99-102 °C(lit.)
[Boiling point ]

489.4±38.0 °C(Predicted)
[density ]

1.519±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

solid
[pka]

3.19±0.20(Predicted)
[Optical Rotation]

[α]20/D 46°, c = 1 in methanol
[InChI]

1S/C4H5NO3/c6-3-1-2(5-3)4(7)8/h2H,1H2,(H,5,6)(H,7,8)/t2-/m0/s1
[InChIKey]

YSPMLLKKKHCTBN-REOHCLBHSA-N
[SMILES]

OC(=O)[C@@H]1CC(=O)N1
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

(S)-4-Oxoazetidine-2-carboxylic Acid, is a building block used for various chemical synthesis such as for the synthesis of NMDA receptor antagonists, 3-alkyl-L-aspartic acids, and orally active β-lactam inhibitors.
[General Description]

The crystals of (S)-(-)-4-oxo-2-azetidinecarboxylic acid are orthorhombic and belongs to P212121 space group.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(-)-4-OXO-2-AZETIDINECARBOXYLIC ACID(16404-94-7)1HNMR
(S)-(-)-4-OXO-2-AZETIDINECARBOXYLIC ACID(16404-94-7)IR
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