CAS No.16205-98-4,3-OXO-1-CYCLOHEXANECARBOXYLIC ACID 96 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16205-98-4
Name:	3-OXO-1-CYCLOHEXANECARBOXYLIC ACID 96
Article Data:	15

Formula:	C₇H₁₀O₃
Molecular Weight:	142.155
Synonyms:	3-Ketocyclohexylcarboxylate;3-Oxo-1-cyclohexanecarboxylic acid;3-Oxocyclohexanecarboxylicacid;
Density:	1.233 g/cm³
Melting Point:	76 °C
Boiling Point:	309.7 °C at 760 mmHg
Flash Point:	155.3 °C
PSA:	54.37000
LogP:	0.83030

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Specification

The Cyclohexanecarboxylicacid, 3-oxo- is an organic compound with the formula C₇H₁₀O₃. The systematic name of this chemical is 3-Oxocyclohexanecarboxylic acid. With the CAS registry number 16205-98-4, it is also named as 3-Oxocyclohexane-1-carboxylic acid. The product's categories are Carboxylic Acids; Ring Systems; C7; Carbonyl Compounds. Besides, it should be stored in a cool, sealed, dry place.

Physical properties about Cyclohexanecarboxylicacid, 3-oxo- are: (1)ACD/LogP: -0.38; (2)ACD/LogD (pH 5.5): -1.22; (3)ACD/LogD (pH 7.4): -3.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.13; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 43.37 Å²; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 33.9 cm³; (14)Molar Volume: 115.2 cm³; (15)Polarizability: 13.44×10^-24 cm³; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.233 g/cm³; (18)Flash Point: 155.3 °C; (19)Enthalpy of Vaporization: 60.54 kJ/mol; (20)Boiling Point: 309.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00014 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)
(2)InChIKey: WATQNARHYZXAGY-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)
(4)Std. InChIKey: WATQNARHYZXAGY-UHFFFAOYSA-N