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CAS No.: | 2517-04-6 |
---|---|
Name: | AZETIDINE-2-CARBOXYLIC ACID |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C4H7NO2 |
Molecular Weight: | 101.105 |
Synonyms: | (?à)-2-Azetidinecarboxylic acid;Azetidine carboxylic acid;DL-2-Azetidinecarboxylic acid; |
EINECS: | 219-740-2 |
Density: | 1.186 g/cm3 |
Melting Point: | 217°C (rough estimate) |
Boiling Point: | 241.976 °C at 760 mmHg |
Flash Point: | 100.144 °C |
PSA: | 49.33000 |
LogP: | -0.23830 |
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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