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| CAS No.: | 5678-46-6 |
|---|---|
| Name: | 3-Amino-3-(2-hydroxyphenyl)propionic acid |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C9H11NO3 |
| Molecular Weight: | 181.191 |
| Synonyms: | Hydrocinnamicacid, b-amino-o-hydroxy- (7CI,8CI); |
| Density: | 1.329 g/cm3 |
| Boiling Point: | 372.4 °C at 760 mmHg |
| Flash Point: | 179 °C |
| PSA: | 83.55000 |
| LogP: | 1.56700 |
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- Total:19 Page 1 of 1 1
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Specification
The 3-Amino-3-(2-hydroxyphenyl)propionic acid is an organic compound with the formula C9H11NO3. The systematic name of this chemical is 3-amino-3-(2-hydroxyphenyl)propanoic acid. With the CAS registry number 5678-46-6, it is also named as benzenepropanoic acid, β-amino-2-hydroxy-. The product's category is B-Amino.
Physical properties about 3-Amino-3-(2-hydroxyphenyl)propionic acid are: (1)CD/LogP: 0.18; (2)ACD/LogD (pH 5.5): -2.33; (3)ACD/LogD (pH 7.4): -2.33; (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: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 47.41 cm3; (14)Molar Volume: 136.2 cm3; (15)Polarizability: 18.79×10-24cm3; (16)Surface Tension: 65.8 dyne/cm; (17)Density: 1.329 g/cm3; (18)Flash Point: 179 °C; (19)Enthalpy of Vaporization: 65.36 kJ/mol; (20)Boiling Point: 372.4 °C at 760 mmHg; (21)Vapour Pressure: 3.33E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)c1ccccc1O
(2)InChI: InChI=1/C9H11NO3/c10-7(5-9(12)13)6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)
(3)InChIKey: BMUFWTKVAWBABX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H11NO3/c10-7(5-9(12)13)6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)
(5)Std. InChIKey: BMUFWTKVAWBABX-UHFFFAOYSA-N