CAS No.2985-33-3,3-ethoxy-2-Methyl-3-oxopropanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2985-33-3
Name:	3-ethoxy-2-Methyl-3-oxopropanoic acid
Article Data:	37

Formula:	C₆H₁₀O₄
Molecular Weight:	146.143
Synonyms:	Malonicacid, methyl-, ethyl ester (7CI);Malonic acid, methyl-, monoethyl ester (8CI);Propanedioic acid, methyl-, monoethyl ester (9CI);2-(Ethoxycarbonyl)propionicacid;Ethyl 2-carboxypropionate;Ethylhydrogen 2-methylmalonate;Ethyl hydrogen methylmalonate;Methylmalonic acidmonoethyl ester;Monoethyl 2-methylmalonate;Monoethyl methylmalonate;Monoethyl methylpropanedioate;NSC 165647;
Density:	1.159 g/cm³
Boiling Point:	242.45 °C at 760 mmHg
Flash Point:	98.414 °C
PSA:	63.60000
LogP:	0.27020

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Specification

The Propanedioic acid,2-methyl-, 1-ethyl ester, with the CAS registry number 2985-33-3, is also known as 2-Methylmalonic acid monoethyl ester. This chemical's molecular formula is C₆H₁₀O₄ and molecular weight is 146.06. What's more, both its IUPAC name and systematic name are the same which is called 3-Ethoxy-2-methyl-3-oxopropanoic acid.

Physical properties about Propanedioic acid,2-methyl-, 1-ethyl ester are: (1)ACD/LogP: 0.501; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -3.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.6 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 33.144 cm³; (15)Molar Volume: 126.06 cm³; (16)Polarizability: 13.139×10^-24cm³; (17)Surface Tension: 38.875 dyne/cm; (18)Density: 1.159 g/cm³; (19)Flash Point: 98.414 °C; (20)Enthalpy of Vaporization: 52.8 kJ/mol; (21)Boiling Point: 242.45 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(C(=O)OCC)C
(2) InChI: InChI=1S/C6H10O4/c1-3-10-6(9)4(2)5(7)8/h4H,3H2,1-2H3,(H,7,8)
(3) InChIKey: REGOCDRDNZNRMC-UHFFFAOYSA-N