CAS No.118399-28-3,Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118399-28-3
Name:	Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate
Article Data:	6

Formula:	C₁₂H₁₃NO₄
Molecular Weight:	235.24
Synonyms:	Carbamicacid, (tetrahydro-5-oxo-3-furanyl)-, phenylmethyl ester, (R)-;Carbamic acid, [(3R)-tetrahydro-5-oxo-3-furanyl]-,phenylmethyl ester (9CI);
EINECS:	821-246-2
Density:	1.272 g/cm³
Melting Point:	105.0 to 109.0 °C
Boiling Point:	466.087 °C at 760 mmHg
Flash Point:	235.681 °C
Appearance:	Off-white solid
Hazard Symbols:	Xi
Safety:	24/25
PSA:	64.63000
LogP:	1.61920

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Specification

The Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate, with the CAS registry number 118399-28-3, has the systematic name of benzyl N-[(3R)-5-oxotetrahydrofuran-3-yl]carbamate. It is a kind of irritant chemcial, and belongs to the product categories of Chiral and Chiral Reagents. And the molecular formula of this chemical is C₁₂H₁₃NO₄.

The physical properties of Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate are as followings: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.59; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 64.63 Å²; (9)Index of Refraction: 1.56; (10)Molar Refractivity: 59.83 cm³; (11)Molar Volume: 184.8 cm³; (12)Polarizability: 23.72×10^-24cm³; (13)Surface Tension: 50 dyne/cm; (14)Density: 1.27 g/cm³; (15)Flash Point: 235.7 °C; (16)Enthalpy of Vaporization: 72.78 kJ/mol; (17)Boiling Point: 466.1 °C at 760 mmHg; (18)Vapour Pressure: 7.29E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)NC2CC(=O)OC2
(2)InChI: InChI=1/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m1/s1
(3)InChIKey: BNIBNUOPVTZWRT-SNVBAGLBBV