3-(Methoxycarbonyl)-2H-cyclohepta[b]furan-2-one supplier

Name
3-(METHOXYCARBONYL)-2H-CYCLOHEPTA[B]FURAN-2-ONE
EINECS
CAS No. 50603-71-9
Article Data9
CAS DataBase
Density 1.339 g/cm³
Solubility
Melting Point 173 °C
Formula C₁₁H₈O₄
Boiling Point 480.71 °C at 760 mmHg
Molecular Weight 204.182
Flash Point 262.727 °C
Transport Information
Appearance yellow crysta
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Methoxycarbonyl)-2H-cyclohepta[b]furan-2-one;Methyl 2-oxocyclohepta[2,1-b]furan-3-carboxylate;
PSA 56.51000
LogP 1.53120

3-(Methoxycarbonyl)-2H-cyclohepta[b]furan-2-one Specification

The 2H-Cyclohepta[b]furan-3-carboxylicacid, 2-oxo-, methyl ester, with the CAS registry number 50603-71-9, is also known as Methyl 2-oxocyclohepta[2,1-b]furan-3-carboxylate. It belongs to the product categories of Furan & Benzofuran; Oxazulanones; Tropolones & Azulenes. This chemical's molecular formula is C₁₁H₈O₄ and molecular weight is 204.1788. It is yellow crystals. When you are dealing with this chemical, you should be very careful. Remember do not breathe dust and avoid contacting with skin and eyes.

Physical properties about 2H-Cyclohepta[b]furan-3-carboxylicacid, 2-oxo-, methyl ester are: (1)ACD/LogP: 0.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23; (8)ACD/KOC (pH 7.4): 23; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 51.562 cm³; (15)Molar Volume: 152.504 cm³; (16)Polarizability: 20.441×10^-24cm³; (17)Surface Tension: 48.19 dyne/cm; (18)Density: 1.339 g/cm³; (19)Flash Point: 262.727 °C; (20)Enthalpy of Vaporization: 74.527 kJ/mol; (21)Boiling Point: 480.71 °C at 760 mmHg; (22)Melting Point: 173 °C; (23)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)C\1=C2C(/OC/1=O)=C\C=C/C=C2
(2) InChI: InChI=1/C11H8O4/c1-14-10(12)9-7-5-3-2-4-6-8(7)15-11(9)13/h2-6H,1H3
(3) InChIKey: NWECYFMGBPWBAL-UHFFFAOYAT

Product Name

3-(METHOXYCARBONYL)-2H-CYCLOHEPTA[B]FURAN-2-ONE

3-(Methoxycarbonyl)-2H-cyclohepta[b]furan-2-one Specification

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