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Azetidine-2-carboxylic acid

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Name

Azetidine-2-carboxylic acid

EINECS 219-740-2
CAS No. 2517-04-6 Density 1.186 g/cm3
PSA 49.33000 LogP -0.23830
Solubility N/A Melting Point 217°C (rough estimate)
Formula C4H7NO2 Boiling Point 241.976 °C at 760 mmHg
Molecular Weight 101.105 Flash Point 100.144 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2517-04-6 (AZETIDINE-2-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

(?à)-2-Azetidinecarboxylic acid;Azetidine carboxylic acid;DL-2-Azetidinecarboxylic acid;

Article Data 14

Azetidine-2-carboxylic acid Specification

The 2-Azetidinecarboxylicacid is an organic compound with the formula C4H7NO2. The IUPAC name of this chemical is azetidine-2-carboxylic acid. With the CAS registry number 2517-04-6, it is also named as (±)-2-Azetidinecarboxylic Acid.

Physical properties about 2-Azetidinecarboxylicacid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 49.33 Å2; (9)Index of Refraction: 1.499; (10)Molar Refractivity: 23.291 cm3; (11)Molar Volume: 79.26 cm3; (12)Polarizability: 9.233×10-24cm3; (13)Surface Tension: 48.295 dyne/cm; (14)Density: 1.276 g/cm3; (15)Flash Point: 100.144 °C; (16)Enthalpy of Vaporization: 52.747 kJ/mol; (17)Boiling Point: 241.976 °C at 760 mmHg; (18)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CNC1C(=O)O
(2)InChI: InChI=1/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)
(3)InChIKey: IADUEWIQBXOCDZ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)
(5)Std. InChIKey: IADUEWIQBXOCDZ-UHFFFAOYSA-N

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