Glycine,N-[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]- supplier

Name
FA-GLY-OH
EINECS
CAS No. 124882-74-2
Article Data3
CAS DataBase
Density 1.329 g/cm³
Solubility
Melting Point 218-221 °C(lit.)
Formula C₉H₉NO₄
Boiling Point 482.8 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 245.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycine,N-[(2E)-3-(2-furanyl)-1-oxo-2-propenyl]- (9CI);Glycine, N-[3-(2-furanyl)-1-oxo-2-propenyl]-,(E)-;N-[(2E)-3-(furan-2-yl)prop-2-enoyl]glycine;glycine, N-[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]-;N-[(2E)-3-(2-furyl)prop-2-enoyl]glycine;
PSA 79.54000
LogP 0.88450

Glycine,N-[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]- Specification

The Glycine,N-[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]-, with the CAS registry number 124882-74-2, has the systematic name of N-[(2E)-3-(furan-2-yl)prop-2-enoyl]glycine. It belongs to the following product categories: Glycine Derivatives; Peptide Synthesis; Unnatural Amino Acid Derivatives. And the molecular formula of the chemical is C₉H₉NO₄.

The characteristics of Glycine,N-[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]- are as followings: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 59.75 Å²; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 48.89 cm³; (13)Molar Volume: 146.7 cm³; (14)Polarizability: 19.38×10^-24cm³; (15)Surface Tension: 54.3 dyne/cm; (16)Density: 1.329 g/cm³; (17)Flash Point: 245.8 °C; (18)Enthalpy of Vaporization: 78.77 kJ/mol; (19)Boiling Point: 482.8 °C at 760 mmHg; (20)Vapour Pressure: 3.92E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(\C=C\c1occc1)NCC(=O)O
(2)InChI: InChI=1/C9H9NO4/c11-8(10-6-9(12)13)4-3-7-2-1-5-14-7/h1-5H,6H2,(H,10,11)(H,12,13)/b4-3+
(3)InChIKey: XJVSWKBQMAOKAX-ONEGZZNKBZ

Product Name

FA-GLY-OH

Glycine,N-[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]- Specification

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