Glycine, N-[3-(4-nitrophenyl)-1-oxo-2-propen-1-yl]-, E- supplier

Name
{[(2E)-3-(4-NITROPHENYL)PROP-2-ENOYL]AMINO}ACETIC ACID
EINECS
CAS No. 150013-03-9
Density
Solubility
Melting Point
Formula C₁₁H₉N₂O₅^-
Boiling Point 546.2 °C at 760 mmHg
Molecular Weight 249.2
Flash Point 284.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms {[(2E)-3-(4-Nitrophenyl)prop-2-enoyl]amino}acetate;2-[[(E)-3-(4-Nitrophenyl)prop-2-enoyl]amino]acetate;
PSA 115.71000
LogP 2.17230

Glycine, N-[3-(4-nitrophenyl)-1-oxo-2-propen-1-yl]-, E- Specification

The Glycine, N-[3-(4-nitrophenyl)-1-oxo-2-propen-1-yl]-, E-, with the CAS registry number 150013-03-9, is also known as {[(2E)-3-(4-Nitrophenyl)prop-2-enoyl]amino}acetate. This chemical's molecular formula is C₁₁H₉N₂O₅^- and molecular weight is 249.2. What's more, its IUPAC name is 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]acetate.

Physical properties of Glycine, N-[3-(4-nitrophenyl)-1-oxo-2-propen-1-yl]-, E- are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -2.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 103.43 Å²; (13)Flash Point: 284.1 °C; (14)Enthalpy of Vaporization: 86.84 kJ/mol; (15)Boiling Point: 546.2 °C at 760 mmHg; (16)Vapour Pressure: 9.21E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C=CC(=O)NCC(=O)[O-])[N+](=O)[O-]
(2)Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)NCC(=O)[O-])[N+](=O)[O-]
(3)InChI: InChI=1S/C11H10N2O5/c14-10(12-7-11(15)16)6-3-8-1-4-9(5-2-8)13(17)18/h1-6H,7H2,(H,12,14)(H,15,16)/p-1/b6-3+
(4)InChIKey: RDUYZCLCAUKCDC-ZZXKWVIFSA-M

Product Name

{[(2E)-3-(4-NITROPHENYL)PROP-2-ENOYL]AMINO}ACETIC ACID

Glycine, N-[3-(4-nitrophenyl)-1-oxo-2-propen-1-yl]-, E- Specification

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