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103201-79-2

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Basic Information
CAS No.: 103201-79-2
Name: (+)-(3R,7aS)-Tetrahydro-3-phenyl-3H,5H-pyrrolo1,2-coxaole-5-one
Article Data: 27
Molecular Structure:
Molecular Structure of 103201-79-2 ((+)-(3R,7aS)-Tetrahydro-3-phenyl-3H,5H-pyrrolo1,2-coxaole-5-one)
Formula: C12H13NO2
Molecular Weight: 203.241
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;
Density: 1.25 g/cm3
Melting Point: <25 °C
Boiling Point: 383.2 °C at 760 mmHg
Flash Point: 185.6 °C
PSA: 29.54000
LogP: 1.64430
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Specification

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