3-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid supplier

Name
3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOIC ACID
EINECS
CAS No. 51672-79-8
Article Data2
CAS DataBase
Density 1.47 g/cm³
Solubility
Melting Point 194-197 °C
Formula C₁₀H₉N₃O₃
Boiling Point 436 °C at 760 mmHg
Molecular Weight 219.2
Flash Point 217.5 °C
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Hazard Symbols
Synonyms 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid;3-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-yl)-propionic acid;
PSA 85.08000
LogP 0.26620

3-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid Specification

The CAS register number of 1,2,3-Benzotriazine-3(4H)-propanoicacid, 4-oxo- is 51672-79-8. It also can be called as 3-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-yl)-propionic acid and the systematic name about this chemical is 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid. The molecular formula about this chemical is C₁₀H₉N₃O₃ and the molecular weight is 219.2.

Physical properties about 1,2,3-Benzotriazine-3(4H)-propanoicacid, 4-oxo- are: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): -0.58; (3)ACD/LogD (pH 7.4): -2.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.16; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 71.33 Å²; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 56.15 cm³; (14)Molar Volume: 148.6 cm³; (15)Polarizability: 22.26x10^-24cm³; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.47 g/cm³; (18)Flash Point: 217.5 °C; (19)Enthalpy of Vaporization: 72.98 kJ/mol; (20)Boiling Point: 436 °C at 760 mmHg; (21)Vapour Pressure: 2.25E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCN1\N=N/c2ccccc2C1=O
(2)InChI: InChI=1/C10H9N3O3/c14-9(15)5-6-13-10(16)7-3-1-2-4-8(7)11-12-13/h1-4H,5-6H2,(H,14,15)
(3)InChIKey: AHKDQGZBLDBPNI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H9N3O3/c14-9(15)5-6-13-10(16)7-3-1-2-4-8(7)11-12-13/h1-4H,5-6H2,(H,14,15)
(5)Std. InChIKey: AHKDQGZBLDBPNI-UHFFFAOYSA-N

Product Name

3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOIC ACID

3-(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid Specification

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