CAS No.89615-73-6,(R)-2-Acetamido-3-(4-nitrophenyl)propanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	89615-73-6
Name:	(R)-2-Acetamido-3-(4-nitrophenyl)propanoic acid
Article Data:	3

Formula:	C₁₁H₁₂N₂O₅
Molecular Weight:	252.227
Synonyms:	N-acetyl-4-nitro-D-phenylalanine;D-phenylalanine, N-acetyl-4-nitro-;(R)-2-Acetamido-3-(4-nitrophenyl)propanoic acid;
Density:	1.366 g/cm³
Boiling Point:	554.7 °C at 760 mmHg
Flash Point:	289.3 °C
PSA:	112.22000
LogP:	1.64070

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Specification

The (R)-2-Acetamido-3-(4-nitrophenyl)propanoic acid, with the CAS registry number 89615-73-6, has the systematic name of N-acetyl-4-nitro-D-phenylalanine. It belongs to the product category of API intermediates, and the molecular formula of the chemical is C₁₁H₁₂N₂O₅.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.9; (4)ACD/LogD (pH 7.4): -3.14; (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: 92.43 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 61.39 cm³; (15)Molar Volume: 184.5 cm³; (16)Polarizability: 24.33×10^-24cm³; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.366 g/cm³; (19)Flash Point: 289.3 °C; (20)Enthalpy of Vaporization: 87.95 kJ/mol; (21)Boiling Point: 554.7 °C at 760 mmHg; (22)Vapour Pressure: 3.86E-13 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)C[C@@H](NC(=O)C)C(=O)O
(2)InChI: InChI=1/C11H12N2O5/c1-7(14)12-10(11(15)16)6-8-2-4-9(5-3-8)13(17)18/h2-5,10H,6H2,1H3,(H,12,14)(H,15,16)/t10-/m1/s1
(3)InChIKey: SOPVYCYKWGPONA-SNVBAGLBBJ