(3,5-Dimethylisoxazol-4-yl)acetic acid supplier

Name
(3,5-DIMETHYL-ISOXAZOL-4-YL)-ACETIC ACID
EINECS
CAS No. 2510-27-2
Article Data3
CAS DataBase
Density 1.236 g/cm³
Solubility
Melting Point 120-121 °C
Formula C₇H₉NO₃
Boiling Point 322.5 °C at 760 mmHg
Molecular Weight 155.15
Flash Point 148.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (3,5-Dimethylisoxazol-4-yl)aceticacid;3,5-Dimethylisoxazole-4-acetic acid;
PSA 63.33000
LogP 0.91850

(3,5-Dimethylisoxazol-4-yl)acetic acid Specification

The 4-Isoxazoleacetic acid,3,5-dimethyl-, with the CAS registry number 2510-27-2, belongs to the product category Oxazole. Its molecular formula is C₇H₉NO₃and its molecular weight is 155.15. Additionally, its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid.

Other characteristics of the 4-Isoxazoleacetic acid,3,5-dimethyl- can be summarised as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -3; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.33 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 37.4 cm³; (15)Molar Volume: 125.4 cm³; (16)Polarizability: 14.82×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.236 g/cm³; (19)Flash Point: 148.8 °C; (20)Enthalpy of Vaporization: 59.57 kJ/mol; (21)Boiling Point: 322.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc1c(onc1C)C
2.InChI: InChI=1/C7H9NO3/c1-4-6(3-7(9)10)5(2)11-8-4/h3H2,1-2H3,(H,9,10)
3.InChIKey: ZEONKMXUCHNYRN-UHFFFAOYAY

Product Name

(3,5-DIMETHYL-ISOXAZOL-4-YL)-ACETIC ACID

(3,5-Dimethylisoxazol-4-yl)acetic acid Specification

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