Name: (4-OXOCYCLOHEXYL)ACETIC ACID
SKU: 52263-23-7

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Basic Information

Molecular Structure:
CAS No.:	52263-23-7
Name:	(4-OXOCYCLOHEXYL)ACETIC ACID

Formula:	C₈H₁₂O₃
Molecular Weight:	156.181
Synonyms:	2-(4-Oxocyclohexyl)acetic acid;4-Oxocyclohexylacetic acid;
Density:	1.156 g/cm³
Melting Point:	67-68 °C
Boiling Point:	327.45 °C at 760 mmHg
Flash Point:	166.046 °C
PSA:	54.37000
LogP:	1.22040

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Specification

The (4-Oxocyclohexyl)acetic acid, with the CAS registry number 52263-23-7, is also known as 2-(4-Oxocyclohexyl)acetic acid. This chemical's molecular formula is C₈H₁₂O₃ and molecular weight is 156.18. What's more, its systematic name is (4-Oxocyclohexyl)acetic acid .

Physical properties of (4-Oxocyclohexyl)acetic acid are: (1)ACD/LogP: 0.048; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.90; (4)ACD/LogD (pH 7.4): -2.70; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.86; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.37 Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 38.692 cm³; (15)Molar Volume: 135.149 cm³; (16)Polarizability: 15.339×10^-24cm³; (17)Surface Tension: 43.0 dyne/cm; (18)Density: 1.156 g/cm³; (19)Flash Point: 166.046 °C; (20)Enthalpy of Vaporization: 62.633 kJ/mol; (21)Boiling Point: 327.45 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC1CCC(=O)CC1
(2)Std. InChI: InChI=1S/C8H12O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6H,1-5H2,(H,10,11)
(3)Std. InChIKey: JZAWBDIRCFFJBI-UHFFFAOYSA-N