Benzoic acid, 2-[(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl]- supplier

Name
2-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL]BENZENECARBOXYLIC ACID
EINECS
CAS No. 26513-80-4
Density 1.412 g/cm³
Solubility
Melting Point 172-173°
Formula C₁₆H₁₁NO₅
Boiling Point 631.8 °C at 760 mmHg
Molecular Weight 297.267
Flash Point 335.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzoicacid, o-[(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl]- (8CI);2-[(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbonyl]benzoic acid;
PSA 92.70000
LogP 2.08470

Benzoic acid, 2-[(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl]- Specification

This chemical is called Benzoic acid, 2-[(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl]-, and its systematic name is 2-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbonyl]benzoic acid. With the molecular formula of C₁₆H₁₁NO₅, its molecular weight is 296.25. The CAS registry number of this chemical is 26513-80-4.

Other characteristics of the Benzoic acid, 2-[(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl]- can be summarised as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.09; (4)ACD/LogD (pH 7.4): -2.05; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 75.62 cm³; (15)Molar Volume: 210.4 cm³; (16)Polarizability: 29.97×10^-24cm³; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.412 g/cm³; (19)Flash Point: 335.9 °C; (20)Enthalpy of Vaporization: 98.2 kJ/mol; (21)Boiling Point: 631.8 °C at 760 mmHg; (22)Vapour Pressure: 7.87E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccccc1C(=O)c3ccc2OCC(=O)Nc2c3
2.InChI: InChI=1/C16H11NO5/c18-14-8-22-13-6-5-9(7-12(13)17-14)15(19)10-3-1-2-4-11(10)16(20)21/h1-7H,8H2,(H,17,18)(H,20,21)
3.InChIKey: FPGWDOSSOOODIX-UHFFFAOYAM

Product Name

2-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL]BENZENECARBOXYLIC ACID

Benzoic acid, 2-[(3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)carbonyl]- Specification

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