CAS No.313241-29-1,1-Ethyl-3,5-adamantanedicarboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	313241-29-1
Name:	1-Ethyl-3,5-adamantanedicarboxylic acid

Formula:	C₁₄H₂₀O₄
Molecular Weight:	252.31
Synonyms:	5-Ethyltricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid;5-Ethyl-1,3-adamantanedicarboxylic acid;
Density:	1.358 g/cm³
Boiling Point:	387 °C at 760 mmHg
Flash Point:	202 °C
PSA:	74.60000
LogP:	2.52240

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Specification

The CAS registry number of 1-Ethyl-3,5-adamantanedicarboxylic acid is 313241-29-1. The systematic name is 5-ethyltricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid. In addition, the molecular formula is C₁₄H₂₀O₄ and the molecular weight is 252.31. What's more, it should be stored in a cool and dry place.

Physical properties about 1-Ethyl-3,5-adamantanedicarboxylic acid are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): -2.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.75; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 63.46 cm³; (15)Molar Volume: 185.7 cm³; (16)Polarizability: 25.16 ×10^-24cm³; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.358 g/cm³; (19)Flash Point: 202 °C; (20)Enthalpy of Vaporization: 69.82 kJ/mol; (21)Boiling Point: 387 °C at 760 mmHg; (22)Vapour Pressure: 4.58E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C13CC2CC(C(=O)O)(CC(C1)(C2)CC)C3
(2)InChI: InChI=1/C14H20O4/c1-2-12-3-9-4-13(6-12,10(15)16)8-14(5-9,7-12)11(17)18/h9H,2-8H2,1H3,(H,15,16)(H,17,18)
(3)InChIKey: GEAXZIJGUHWTIS-UHFFFAOYAA