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CAS No.: | 124882-74-2 |
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Name: | FA-GLY-OH |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H9NO4 |
Molecular Weight: | 195.175 |
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; |
Density: | 1.329 g/cm3 |
Melting Point: | 218-221 °C(lit.) |
Boiling Point: | 482.8 °C at 760 mmHg |
Flash Point: | 245.8 °C |
PSA: | 79.54000 |
LogP: | 0.88450 |
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