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526-21-6

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Basic Information
CAS No.: 526-21-6
Name: Glycine,N-(2-aminobenzoyl)-
Article Data: 7
Molecular Structure:
Molecular Structure of 526-21-6 (Glycine,N-(2-aminobenzoyl)-)
Formula: C9H10N2O3
Molecular Weight: 194.19
Synonyms: 2-Aminohippuric acid;
Density: 1.356 g/cm3
Boiling Point: 498.1 °C at 760 mmHg
Flash Point: 255.1 °C
PSA: 92.42000
LogP: 1.05530
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Specification

The Glycine,N-(2-aminobenzoyl)-, with the CAS registry number of 526-21-6, is also known as 2-Aminohippuric acid. This chemical's molecular formula is C9H10N2O3 and molecular weight is 194.187300. What's more, its IUPAC name is 2-[(2-Aminobenzoyl)amino]acetic acid.

Physical properties about the Glycine,N-(2-aminobenzoyl)- are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.06; (4)ACD/LogD (pH 7.4): -3.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 50.3 cm3; (15)Molar Volume: 143.1 cm3; (16)Surface Tension: 65.8 dyne/cm; (17)Density: 1.356 g/cm3; (18)Enthalpy of Vaporization: 80.69 kJ/mol; (19)Boiling Point: 498.1 °C at 760 mmHg; (20)Vapour Pressure: 9.65E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1N)NCC(=O)O
(2) InChI: InChI=1/C9H10N2O3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
(3) InChIKey: DEFPNMKDESPGBA-UHFFFAOYAA