Propanedioic acid,2-(2-thienylmethyl)-, 1-methyl ester supplier

Name
Monomethyl-2-(2-thienylmethyl)-malonate
EINECS
CAS No. 122308-24-1
Density 1.341 g/cm³
Solubility
Melting Point
Formula C₉H₁₀O₄S
Boiling Point 350.383 °C at 760 mmHg
Molecular Weight 214.2383
Flash Point 165.706 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanedioicacid, (2-thienylmethyl)-, monomethyl ester (9CI);3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic acid;Monomethyl 2-(2-thienylmethyl)malonate;Monomethyl 2-(2-thienylmethyl)propanedioate;Propanedioic acid, 2-(2-thienylmethyl)-, monomethyl ester;
PSA 91.84000
LogP 1.16440

Propanedioic acid,2-(2-thienylmethyl)-, 1-methyl ester Specification

The Propanedioic acid,2-(2-thienylmethyl)-, 1-methyl ester, with the CAS registry number 122308-24-1, has the systematic name of 3-methoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₁₀O₄S.

The characteristics of Propanedioic acid,2-(2-thienylmethyl)-, 1-methyl ester are as followings: (1)ACD/LogP: 0.85; (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: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 91.84 Å²; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 51.383 cm³; (13)Molar Volume: 159.735 cm³; (14)Polarizability: 20.37×10^-24cm³; (15)Surface Tension: 52.658 dyne/cm; (16)Density: 1.341 g/cm³; (17)Flash Point: 165.706 °C; (18)Enthalpy of Vaporization: 62.787 kJ/mol; (19)Boiling Point: 350.383 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C(C(=O)O)Cc1sccc1
(2)InChI: InChI=1/C9H10O4S/c1-13-9(12)7(8(10)11)5-6-3-2-4-14-6/h2-4,7H,5H2,1H3,(H,10,11)
(3)InChIKey: RXXLAMKEUHLEAN-UHFFFAOYAC

Product Name

Monomethyl-2-(2-thienylmethyl)-malonate

Propanedioic acid,2-(2-thienylmethyl)-, 1-methyl ester Specification

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