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Name |
Glycine,N-[(2E)-3-(2-furanyl)-1-oxo-2-propen-1-yl]- |
EINECS | N/A |
CAS No. | 124882-74-2 | Density | 1.329 g/cm3 |
PSA | 79.54000 | LogP | 0.88450 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 3 |
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