Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 3-(aminocarbonyl)benzoate |
EINECS | N/A |
CAS No. | 106748-24-7 | Density | 1.226 g/cm3 |
PSA | 69.39000 | LogP | 1.27240 |
Solubility | N/A | Melting Point |
147~150℃ |
Formula | C9H9NO3 | Boiling Point | 318.5 °C at 760 mmHg |
Molecular Weight | 179.175 | Flash Point | 167.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Carbamoylbenzoicacid methyl ester; |
Article Data | 6 |
The Benzoic acid,3-(aminocarbonyl)-, methyl ester is the organic compound with the formula C9H9NO3. With the CAS registry number 106748-24-7, its IUPAC name is methyl 3-carbamoylbenzoate.
Physical properties of Benzoic acid,3-(aminocarbonyl)-, methyl ester: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 0.99; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 3.35; (5)ACD/BCF (pH 7.4): 3.35; (6)ACD/KOC (pH 5.5): 82.66; (7)ACD/KOC (pH 7.4): 82.66; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 46.95 cm3; (13)Molar Volume: 146 cm3; (14)Surface Tension: 49.1 dyne/cm; (15)Density: 1.226 g/cm3; (16)Flash Point: 167.4 °C; (17)Enthalpy of Vaporization: 56 kJ/mol; (18)Boiling Point: 318.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00036 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CC=CC(=C1)C(=O)N
(2)InChI: InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H2,10,11)
(3)InChIKey: MNDFXDXRMYURMC-UHFFFAOYSA-N