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Basic Information
CAS No.: 17119-54-9
Name: AMINO-FURAN-2-YL-ACETIC ACID
Molecular Structure:
Molecular Structure of 17119-54-9 (AMINO-FURAN-2-YL-ACETIC ACID)
Formula: C6H7NO3
Molecular Weight: 141.12
Synonyms: (Amino)(2-furanyl)aceticacid;DL-2-(2-Furyl)glycine;NSC 170418;
Density: 1.355g/cm3
Boiling Point: 231.7 °C at 760 mmHg
Flash Point: 93.9 °C
PSA: 76.46000
LogP: 1.06430
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Specification

The 2-Furanacetic acid, α-amino-, with CAS registry number 17119-54-9, belongs to the following product category: Pharmacetical. It has the systematic name of amino(furan-2-yl)acetic acid. Besides this, it is also called 2-Amino-2-furanacetic acid. And the chemical formula of this chemical is C6H7NO3.

Physical properties of 2-Furanacetic acid, α-amino-: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 42.68 Å2; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 33.2 cm3; (13)Molar Volume: 104 cm3; (14)Polarizability: 13.16×10-24cm3; (15)Surface Tension: 58 dyne/cm; (16)Density: 1.355 g/cm3; (17)Flash Point: 93.9 °C; (18)Enthalpy of Vaporization: 49.5 kJ/mol; (19)Boiling Point: 231.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0343 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)c1occc1
(2)InChI: InChI=1/C6H7NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)
(3)InChIKey: DYFYPSCJKBYYNK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H7NO3/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)
(5)Std. InChIKey: DYFYPSCJKBYYNK-UHFFFAOYSA-N