-
Name
CYCLOBUTYL-ACETIC ACID
- EINECS
- CAS No. 6540-33-6
- Article Data15
- CAS DataBase
- Density 1.106 g/cm3
- Solubility
- Melting Point
- Formula C6H10O2
- Boiling Point 210.7 °C at 760 mmHg
- Molecular Weight 114.144
- Flash Point 103.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes 22-41
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms 2-Cyclobutylacetic acid;
- PSA 37.30000
- LogP 1.26120
Cyclobutaneacetic acid Specification
The Cyclobutaneacetic acid, with the CAS registry number 6540-33-6, is also known as 2-Cyclobutylacetic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C6H10O2 and molecular weight is 114.1424. What's more, its IUPAC name is called 2-Cyclobutylacetic acid.
Physical properties about Cyclobutaneacetic acid are: (1)ACD/LogP: 1.18; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.13; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 29.33 cm3; (15)Molar Volume: 103.1 cm3; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 103.9 °C; (19)Enthalpy of Vaporization: 49.26 kJ/mol; (20)Boiling Point: 210.7 °C at 760 mmHg; (21)Vapour Pressure: 0.075 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC1CCC1
(2) InChI: InChI=1/C6H10O2/c7-6(8)4-5-2-1-3-5/h5H,1-4H2,(H,7,8)
(3) InChIKey: FQRMJJJRCOMBKG-UHFFFAOYAU
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