-
Name
3-Oxocyclopentanecarboxylic acid
- EINECS
- CAS No. 98-78-2
- Article Data30
- CAS DataBase
- Density 1.314 g/cm3
- Solubility
- Melting Point 59-62 °C(lit.)
- Formula C6H8O3
- Boiling Point 300.6 °C at 760 mmHg
- Molecular Weight 128.128
- Flash Point 149.9 °C
- Transport Information
- Appearance WHITE TO YELLOW POWDER, CRYSTALS,. CRYSTALLINE POWDER AND/OR CHUNKS
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Carboxycyclopentanone;3-Ketocyclopentylcarboxylic acid;3-Oxocyclopentane-1-carboxylic acid;Cyclopentanone-3-carboxylic acid;NSC 19869;
- PSA 54.37000
- LogP 0.44020
3-Oxocyclopentanecarboxylic acid Specification
This chemical is called Cyclopentanecarboxylicacid, 3-oxo-, and its systematic name is 3-oxocyclopentanecarboxylic acid. With the molecular formula of C6H8O3, its product categories are Pharmacetical; C6; Carbonyl Compounds; Carboxylic Acids. The CAS registry number of this chemical is 98-78-2. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of the Cyclopentanecarboxylicacid, 3-oxo- can be summarised as followings: (1)ACD/LogP: -0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 29.29 cm3; (13)Molar Volume: 97.4 cm3; (14)Polarizability: 11.61×10-24cm3; (15)Surface Tension: 55.4 dyne/cm; (16)Density: 1.314 g/cm3; (17)Flash Point: 149.9 °C; (18)Enthalpy of Vaporization: 59.48 kJ/mol; (19)Boiling Point: 300.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00026 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1CCC(C(=O)O)C1
2.InChI: InChI=1/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h4H,1-3H2,(H,8,9)
3.InChIKey: RDSNBKRWKBMPOP-UHFFFAOYAT
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