Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3H,5H-Pyrrolo[1,2-c]oxazol-5-one,tetrahydro-3-phenyl-, (3R,7alphaS)- |
EINECS | N/A |
CAS No. | 103201-79-2 | Density | 1.25 g/cm3 |
PSA | 29.54000 | LogP | 1.64430 |
Solubility | N/A | Melting Point |
<25 °C |
Formula | C12H13NO2 | Boiling Point | 383.2 °C at 760 mmHg |
Molecular Weight | 203.241 | Flash Point | 185.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3H,5H-Pyrrolo[1,2-c]oxazol-5-one,tetrahydro-3-phenyl-, (3R-cis)-;(+)-(3R,7aS)-Tetrahydro-3-phenyl-3H,5H-pyrrolo[1,2-c]oxazol-5-one; |
Article Data | 27 |
The 3H,5H-Pyrrolo[1,2-c]oxazol-5-one,tetrahydro-3-phenyl-, (3R,7alphaS)-, with the CAS registry number 103201-79-2, is also known as (3R,7alphaS)-3-phenyltetrahydro-5H-pyrrolo[1,2-c][1,3]oxazol-5-one. It belongs to the product categories of Pharmacetical; Heterocyclic Building Blocks. This chemical's molecular formula is C12H13NO2 and molecular weight is 203.2371. Its IUPAC name is called (3R,7alphaS)-3-phenyl-3,6,7,7alpha-tetrahydro-1H-pyrrolo[1,5-c]oxazol-5-one.
Physical properties of 3H,5H-Pyrrolo[1,2-c]oxazol-5-one,tetrahydro-3-phenyl-, (3R,7alphaS)-: (1)ACD/LogP: 0.58; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.608; (5)Molar Refractivity: 56.14 cm3; (6)Molar Volume: 162.2 cm3; (7)Surface Tension: 50.5 dyne/cm; (8)Density: 1.25 g/cm3; (9)Flash Point: 185.6 °C; (10)Enthalpy of Vaporization: 63.17 kJ/mol; (11)Boiling Point: 383.2 °C at 760 mmHg; (12)Vapour Pressure: 4.47E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C2N3C(CCC3=O)CO2
(2)InChI: InChI=1/C12H13NO2/c14-11-7-6-10-8-15-12(13(10)11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2/t10-,12+/m0/s1
(3)InChIKey: OURKKNDNLSPPQY-CMPLNLGQBN