The Butanedioic acid,2-phenyl-, (2S)-, with the CAS registry number 4036-30-0, is also known as 2-Phenylsuccinic acid. It belongs to the product categories of Miscellaneous; Carboxylic Acids (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry; Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks. Its EINECS registry number is 223-719-3. This chemical's molecular formula is C10H10O4 and molecular weight is 194.19. Its IUPAC name is called 2-phenylbutanedioic acid. This chemical is almost white micro-crystalline powder which should be sealed in ventilated and dry place.
Physical properties of Butanedioic acid,2-phenyl-, (2S)-: (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.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You should not breathe its dust and avoid contacting it with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
(2)InChI: InChI=1S/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-UHFFFAOYSA-N
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