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CAS No.: | 93012-30-7 |
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Name: | BIPHENYL-2,2'-DIACETONITRILE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C16H14O4 |
Molecular Weight: | 270.285 |
Synonyms: | 2-[2-[2-(carboxymethyl)phenyl]phenyl]acetic acid;Biphenyl-2,2'-diacetonitrile; |
Density: | 1.289 g/cm3 |
Melting Point: | 78-79 °C |
Boiling Point: | 531.5 °C at 760 mmHg |
Flash Point: | 289.3 °C |
Hazard Symbols: | Xi |
PSA: | 47.58000 |
LogP: | 3.48576 |
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The 2,2-Biphenyldiacetic acid, with the CAS registry number 93012-30-7, is also known as NSC116230. This chemical's molecular formula is C16H14O4 and molecular weight is 270.27996. Its IUPAC name is called 2-[2-[2-(carboxymethyl)phenyl]phenyl]acetic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 2,2-Biphenyldiacetic acid: (1)ACD/LogP: 2.55; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.5; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 73.07 cm3; (11)Molar Volume: 209.6 cm3; (12)Surface Tension: 57.5 dyne/cm; (13)Density: 1.289 g/cm3; (14)Flash Point: 289.3 °C; (15)Enthalpy of Vaporization: 84.95 kJ/mol; (16)Boiling Point: 531.5 °C at 760 mmHg; (17)Vapour Pressure: 3.97E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)C2=CC=CC=C2CC(=O)O
(2)InChI: InChI=1S/C16H14O4/c17-15(18)9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
(3)InChIKey: IXBKIGKDLZRRAL-UHFFFAOYSA-N