Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(3-Methyl-4-nitrophenyl)acetic acid |
EINECS | N/A |
CAS No. | 143665-37-6 | Density | 1.346 g/cm3 |
PSA | 83.12000 | LogP | 2.05350 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9NO4 | Boiling Point | 376.999 °C at 760 mmHg |
Molecular Weight | 195.175 | Flash Point | 167.746 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(3-Methyl-4-nitrophenyl)acetic acid;3-Methyl-4-nitrophenylacetic acid;5-(Carboxymethyl)-2-nitrotoluene, 4-(Carboxymethyl)-2-methylnitrobenzene |
Article Data | 6 |
The 4-Methyl-3-nitrophenyl acetic acid, with the CAS registry number of 143665-37-6, is also known as 3-Methyl-4-nitrophenylacetic acid. Its molecular formula is C9H9NO4 and molecular weight is 195.17206. What's more, its systematic name is (3-Methyl-4-nitrophenyl)acetic acid.
Physical properties about the 4-Methyl-3-nitrophenyl acetic acid are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 83.12 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 48.737 cm3; (15)Molar Volume: 144.993 cm3; (16)Surface Tension: 57.227 dyne/cm; (17)Density: 1.346 g/cm3; (18)Flash Point: 167.746 °C; (19)Enthalpy of Vaporization: 65.901 kJ/mol; (20)Boiling Point: 376.999 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccc(cc1C)CC(=O)O
(2) InChI: InChI=1/C9H9NO4/c1-6-4-7(5-9(11)12)2-3-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
(3) InChIKey: NUYOXESWWGUDLP-UHFFFAOYAW