CAS No.144172-26-9,5-Chloro-1-oxo-2,3-dihydro-2-hydroxy-1H-indene-2-carboxylic acid methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	144172-26-9
Name:	5-Chloro-1-oxo-2,3-dihydro-2-hydroxy-1H-indene-2-carboxylic acid methyl ester
Article Data:	6

Formula:	C₁₁H₉ClO₄
Molecular Weight:	254.673
Synonyms:	1H-Indene-2-carboxylicacid, 5-chloro-1-hydrazono-2,3-dihydro-2-hydroxy-, methyl ester (9CI);
Density:	1.504 g/cm³
Boiling Point:	376.316 °C at 760 mmHg
Flash Point:	181.39 °C
PSA:	84.91000
LogP:	1.16330

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Specification

The 5-Chloro-1-oxo-2,3-dihydro-2-hydroxy-1H-indene-2-carboxylic acid methyl ester is an organic compound with the formula C₁₁H₉ClO₄. The systematic name of this chemical is methyl 5-chloro-2-hydroxy-1-oxo-2,3-dihydro-1H-indene-2-carboxylate. With the CAS registry number 144172-26-9, it is also named as 1H-indene-2-carboxylic acid, 5-chloro-2,3-dihydro-2-hydroxy-1-oxo-, methyl ester.

Physical properties about 5-Chloro-1-oxo-2,3-dihydro-2-hydroxy-1H-indene-2-carboxylic acid methyl ester are: (1)ACD/LogP: 0.60; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 13; (5)ACD/BCF (pH 7.4): 13; (6)ACD/KOC (pH 5.5): 220; (7)ACD/KOC (pH 7.4): 220; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 63.6 Å²; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 55.899 cm³; (14)Molar Volume: 160.003 cm³; (15)Polarizability: 22.16×10^-24cm³; (16)Surface Tension: 64.691 dyne/cm; (17)Density: 1.504 g/cm³; (18)Flash Point: 181.39 °C; (19)Enthalpy of Vaporization: 65.82 kJ/mol; (20)Boiling Point: 376.316 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2c(c1)CC(O)(C2=O)C(=O)OC
(2)InChI: InChI=1/C11H9ClO4/c1-16-10(14)11(15)5-6-4-7(12)2-3-8(6)9(11)13/h2-4,15H,5H2,1H3
(3)InChIKey: NCNGKAPNQHDQBA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H9ClO4/c1-16-10(14)11(15)5-6-4-7(12)2-3-8(6)9(11)13/h2-4,15H,5H2,1H3
(5)Std. InChIKey: NCNGKAPNQHDQBA-UHFFFAOYSA-N