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CAS No.: | 30077-08-8 |
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Name: | AMINO-(3-NITRO-PHENYL)-ACETIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H8N2O4 |
Molecular Weight: | 196.163 |
Synonyms: | Glycine,2-(m-nitrophenyl)- (6CI,7CI,8CI);2-(m-Nitrophenyl)glycine;3-Nitrophenylglycine;DL-m-Nitrophenylglycine;m-Nitro-DL-phenylglycine; |
Density: | 1.473 g/cm3 |
Boiling Point: | 370.3 °C at 760 mmHg |
Flash Point: | 177.7 °C |
PSA: | 109.14000 |
LogP: | 1.90270 |
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The Benzeneacetic acid, a-amino-3-nitro-, with the CAS registry number 30077-08-8, has the systematic name of amino(3-nitrophenyl)acetic acid. It belongs to the product category of Pharmacetical. And the molecular formula of this chemical is C8H8N2O4.
The physical properties of Benzeneacetic acid, a-amino-3-nitro- are as following: (1)ACD/LogP: 0.67; (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: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 75.36 Å2; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 47.45 cm3; (13)Molar Volume: 133.1 cm3; (14)Polarizability: 18.81×10-24cm3; (15)Surface Tension: 72.7 dyne/cm; (16)Density: 1.473 g/cm3; (17)Flash Point: 177.7 °C; (18)Enthalpy of Vaporization: 65.11 kJ/mol; (19)Boiling Point: 370.3 °C at 760 mmHg; (20)Vapour Pressure: 3.89E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)C(N)C(=O)O
(2)InChI: InChI=1/C8H8N2O4/c9-7(8(11)12)5-2-1-3-6(4-5)10(13)14/h1-4,7H,9H2,(H,11,12)
(3)InChIKey: RJMYTHGQVJWWJO-UHFFFAOYAS