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23485-68-9

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Basic Information
CAS No.: 23485-68-9
Name: 3-(5-PHENYL-1,3-OXAZOL-2-YL)PROPANOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 23485-68-9 (3-(5-PHENYL-1,3-OXAZOL-2-YL)PROPANOIC ACID)
Formula: C12H11NO3
Molecular Weight: 217.22
Synonyms: 2-Oxazolepropionicacid, 5-phenyl- (8CI);5-Phenyl-2-oxazolepropionic acid;
Density: 1.243 g/cm3
Melting Point: 149-153 °C
Boiling Point: 413 °C at 760 mmHg
Flash Point: 203.6 °C
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-41
Safety: 26-36/39
PSA: 63.33000
LogP: 2.35880
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Specification

The 2-Oxazolepropanoicacid, 5-phenyl-, with the CAS registry number 23485-68-9, is also known as 3-(5-Phenyl-1,3-oxazol-2-yl)propanoic acid 97%. It belongs to the product categories of Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Building Blocks; Heterocyclic Building Blocks; Oxazoles. This chemical's molecular formula is C12H11NO3 and molecular weight is 217.2206. Its IUPAC name is called 3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid.

Physical properties of 2-Oxazolepropanoicacid, 5-phenyl-: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 1.46; (3)ACD/BCF (pH 5.5): 3.78; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 39.23; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.565; (11)Molar Refractivity: 56.98 cm3; (12)Molar Volume: 174.6 cm3; (13)Surface Tension: 51 dyne/cm; (14)Density: 1.243 g/cm3; (15)Flash Point: 203.6 °C; (16)Enthalpy of Vaporization: 70.2 kJ/mol; (17)Boiling Point: 413 °C at 760 mmHg; (18)Vapour Pressure: 1.46E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful if swallowed. 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 protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1ncc(o1)c2ccccc2
(2)InChI: InChI=1/C12H11NO3/c14-12(15)7-6-11-13-8-10(16-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
(3)InChIKey: GFVIYHMHRMUSLA-UHFFFAOYAX