-
Name
3-OXO-1-CYCLOHEXANECARBOXYLIC ACID 96
- EINECS
- CAS No. 16205-98-4
- Article Data15
- CAS DataBase
- Density 1.233 g/cm3
- Solubility
- Melting Point 76 °C
- Formula C7H10O3
- Boiling Point 309.7 °C at 760 mmHg
- Molecular Weight 142.155
- Flash Point 155.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Ketocyclohexylcarboxylate;3-Oxo-1-cyclohexanecarboxylic acid;3-Oxocyclohexanecarboxylicacid;
- PSA 54.37000
- LogP 0.83030
Cyclohexanecarboxylicacid, 3-oxo- 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
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- Cyclohexanecarboxylicacid, 1-bromo-, methyl ester
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- Cyclohexanecarboxylicacid, 1-formyl-, ethyl ester
- Cyclohexanecarboxylicacid, 1-methyl-
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