2-(3-Methyl-4-nitrophenyl)acetic acid supplier

Name
2-(3-Methyl-4-nitrophenyl)acetic acid
EINECS
CAS No. 143665-37-6
Article Data6
CAS DataBase
Density 1.346 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₄
Boiling Point 376.999 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 167.746 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(3-Methyl-4-nitrophenyl)acetic acid;3-Methyl-4-nitrophenylacetic acid;5-(Carboxymethyl)-2-nitrotoluene, 4-(Carboxymethyl)-2-methylnitrobenzene
PSA 83.12000
LogP 2.05350

2-(3-Methyl-4-nitrophenyl)acetic acid Specification

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

Product Name

2-(3-Methyl-4-nitrophenyl)acetic acid

2-(3-Methyl-4-nitrophenyl)acetic acid Specification

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