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106748-24-7

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Basic Information
CAS No.: 106748-24-7
Name: METHYL3-(AMINOCARBONYL)BENZOATE
Article Data: 6
Molecular Structure:
Molecular Structure of 106748-24-7 (METHYL3-(AMINOCARBONYL)BENZOATE)
Formula: C9H9NO3
Molecular Weight: 179.175
Synonyms: 3-Carbamoylbenzoicacid methyl ester;
Density: 1.226 g/cm3
Melting Point: 147～150℃
Boiling Point: 318.5 °C at 760 mmHg
Flash Point: 167.4 °C
PSA: 69.39000
LogP: 1.27240
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    Molecular Formula:C9H9NO3

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Specification

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