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1052209-51-4

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Basic Information
CAS No.: 1052209-51-4
Name: D,L-7-Aza-3-indolylglycine
Molecular Structure:
Molecular Structure of 1052209-51-4 (D,L-7-Aza-3-indolylglycine)
Formula: C9H9N3O2
Molecular Weight: 191.19
Synonyms: Amino(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid;
Density: 1.505 g/cm3
Melting Point: 242-246°C
Boiling Point: 459.5 °C at 760 mmHg
Flash Point: 231.7 °C
PSA: 92.00000
LogP: 1.34760
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Specification

The CAS registry number of D,L-7-Aza-3-indolylglycine is 1052209-51-4. The systematic name is amino(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid. In addition, the molecular formula is C9H9N3O2 and the molecular weight is 191.19. It should be stored in a cool and dry place.

Physical properties about D,L-7-Aza-3-indolylglycine are: (1)ACD/LogP: 0.54; (2)ACD/LogD (pH 5.5): -1.98; (3)ACD/LogD (pH 7.4): -1.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 47.36 Å2; (12)Index of Refraction: 1.741; (13)Molar Refractivity: 51.27 cm3; (14)Molar Volume: 126.9 cm3; (15)Polarizability: 20.32 ×10-24cm3; (16)Surface Tension: 89.8 dyne/cm; (17)Density: 1.505 g/cm3; (18)Flash Point: 231.7 °C; (19)Enthalpy of Vaporization: 75.86 kJ/mol; (20)Boiling Point: 459.5 °C at 760 mmHg; (21)Vapour Pressure: 3.09E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(c2c1cccnc1nc2)N
(2)InChI: InChI=1/C9H9N3O2/c10-7(9(13)14)6-4-12-8-5(6)2-1-3-11-8/h1-4,7H,10H2,(H,11,12)(H,13,14)
(3)InChIKey: JAOJSANZQPPJLZ-UHFFFAOYAE