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175136-93-3

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Basic Information
CAS No.: 175136-93-3
Name: 1-(2-Furylmethyl)-5-oxopyrrolidine-3-carboxylic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 175136-93-3 (1-(2-Furylmethyl)-5-oxopyrrolidine-3-carboxylic acid)
Formula: C10H11 N O4
Molecular Weight: 209.202
Synonyms: 1-(2-furylmethyl)-5-oxo-3-pyrrolidinecarboxylic acid;1-(2-furylmethyl)-5-oxopyrrolidine-3-carboxylic acid;
Density: 1.398g/cm3
Melting Point: 159oC
Boiling Point: 460.8oC at 760 mmHg
Flash Point: 232.5oC
Hazard Symbols: Xi
PSA: 70.75000
LogP: 0.65060
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Chemistry


IUPAC Name: 1-(Furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
Canonical SMILES: C1C(CN(C1=O)CC2=CC=CO2)C(=O)O
InChI: InChI=1S/C10H11NO4/c12-9-4-7(10(13)14)5-11(9)6-8-2-1-3-15-8/h1-3,7H,4-6H2,(H,13,14) 
InChIKey: NFWHHUCJMAPGHE-UHFFFAOYSA-N
Molecular Weight: 209.19864 [g/mol]  
Molecular Formula: C10H11NO4  
XLogP3-AA: -0.4  
H-Bond Donor: 1  
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 209.068808
MonoIsotopic Mass: 209.068808
Topological Polar Surface Area: 70.8
Heavy Atom Count: 15
Complexity: 279
Index of Refraction: 1.578 
Molar Refractivity: 49.71 cm3 
Molar Volume: 149.6 cm3 
Surface Tension: 62.9 dyne/cm 
Density: 1.398 g/cm3 
Flash Point: 232.5 °C 
Enthalpy of Vaporization: 76.03 kJ/mol 
Boiling Point: 460.8 °C at 760 mmHg 
Vapour Pressure: 2.74E-09 mmHg at 25 °C 
Melting Point of 1-(2-Furylmethyl)-5-oxopyrrolidine-3-carboxylic acid (CAS NO.175136-93-3): 159 °C

Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant
HazardClass of 1-(2-Furylmethyl)-5-oxopyrrolidine-3-carboxylic acid (CAS NO.175136-93-3): IRRITANT

Specification

 1-(2-Furylmethyl)-5-oxopyrrolidine-3-carboxylic acid (CAS NO.175136-93-3), its Synonyms are 1-(2-Furylmethyl)-5-oxo-3-pyrrolidinecarboxylic acid ; 3-Pyrrolidinecarboxylic acid, 1-(2-furanylmethyl)-5-oxo- ; 1-(Fur-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid ; 1-(Fur-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid 97% .