2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-thiazol-4-yl]acetate supplier

Name
[2-(4-HYDROXY-PHENYL)-THIAZOL-4-YL]-ACETIC ACID
EINECS
CAS No. 23551-34-0
Density 1.441g/cm³
Solubility
Melting Point
Formula C₁₁H₈NO₃S^-
Boiling Point 420.6 °C at 760 mmHg
Molecular Weight 235.26
Flash Point 208.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms ZINC04206906;
PSA 98.66000
LogP 2.14280

2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-thiazol-4-yl]acetate Specification

The 2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-thiazol-4-yl]acetate, with the CAS registry number 23551-34-0, is also known as ZINC04206906. This chemical's molecular formula is C₁₁H₈NO₃S^- and molecular weight is 234.25112. Its IUPAC name is called 2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]acetate.

Physical properties of 2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-thiazol-4-yl]acetate: (1)ACD/LogP: -0.15; (2)ACD/LogD (pH 5.5): -0.79; (3)ACD/LogD (pH 7.4): -2.56; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.55; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 208.2 °C; (12)Enthalpy of Vaporization: 73.99 kJ/mol; (13)Boiling Point: 420.6 °C at 760 mmHg; (14)Vapour Pressure: 2.97E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=O)C=CC1=C2NC(=CS2)CC(=O)[O-]
(2)InChI: InChI=1S/C11H9NO3S/c13-9-3-1-7(2-4-9)11-12-8(6-16-11)5-10(14)15/h1-4,6,12H,5H2,(H,14,15)/p-1
(3)InChIKey: FZUSQJXZIBVFIQ-UHFFFAOYSA-M

Product Name

[2-(4-HYDROXY-PHENYL)-THIAZOL-4-YL]-ACETIC ACID

2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3-thiazol-4-yl]acetate Specification

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