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| CAS No.: | 46292-93-7 |
|---|---|
| Name: | (R)-(-)-Phenylsuccinic acid |
| Molecular Structure: | |
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| Formula: | C10H10O4 |
| Molecular Weight: | 194.187 |
| Synonyms: | Butanedioicacid, phenyl-, (2R)- (9CI);Butanedioic acid, phenyl-, (R)-;(-)-2-Phenylsuccinic acid;(-)-Phenylsuccinic acid;(R)-Phenylsuccinic acid; |
| Density: | 1.336g/cm3 |
| Melting Point: | 173-176 °C |
| Boiling Point: | 307.8 °C at 760mmHg |
| Flash Point: | 154.2 °C |
| Appearance: | almost white fine powder |
| Safety: | 22-24/25 |
| PSA: | 74.60000 |
| LogP: | 1.32950 |
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Specification
The (R)-(-)-Phenylsuccinic acid, with the CAS registry number 46292-93-7, is also known as Butanedioic acid, 2-phenyl-. It belongs to the product categories of Miscellaneous; Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. This chemical's molecular formula is C10H10O4 and molecular weight is 194.19. Its systematic name is called 2-phenylbutanedioic acid. When you are using this chemical, please be cautious about it, you should not breathe its dust.In addition, you avoid contacting with your skin and eyes. This chemical is almost white fine powder.
Physical properties of (R)-(-)-Phenylsuccinic acid: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -3.51; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 48.19 cm3; (14)Molar Volume: 145.2 cm3; (15)Surface Tension: 60.8 dyne/cm; (16)Density: 1.336 g/cm3; (17)Flash Point: 154.2 °C; (18)Enthalpy of Vaporization: 57.91 kJ/mol; (19)Boiling Point: 307.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000306 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(c1ccccc1)CC(=O)O
(2)InChI: InChI=1/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
(3)InChIKey: LVFFZQQWIZURIO-UHFFFAOYAU