-
Name
3-Methoxycyclobutanecarboxylic acid
- EINECS
- CAS No. 480450-03-1
- Density 1.16 g/cm3
- Solubility
- Melting Point
- Formula C6H10O3
- Boiling Point 230.2 °C at 760 mmHg
- Molecular Weight 130.14
- Flash Point 96.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-METHOXYCYCLOBUTANECARBOXYLIC ACID
- PSA 46.53000
- LogP 0.49600
3-Methoxycyclobutanecarboxylic acid Specification
With the CAS registry number 480450-03-1, the systematic name of 3-Methoxycyclobutanecarboxylic acid is 3-Methoxycyclobutanecarboxylic acid. In addition, its molecular formula is C6H10O3 and its molecular weight is 130.14.
The other characteristics of 3-Methoxycyclobutanecarboxylic acid can be summarized as: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.66; (5)ACD/KOC (pH 7.4): 1; (6)H bond acceptors: 3; (7)H bond donors: 1; (8)Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.53 Å2; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 31.12 cm3; (12)Molar Volume: 111.4 cm3; (13)Polarizability: 12.33×10-24cm3; (14)Surface Tension: 39.3 dyne/cm; (15)Density: 1.16 g/cm3; (16)Flash Point: 96.6 °C; (17)Enthalpy of Vaporization: 51.42 kJ/mol; (18)Boiling Point: 230.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0237 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)C1CC(OC)C1
(2)InChI:InChI=1/C6H10O3/c1-9-5-2-4(3-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
(3)InChIKey:PRADZEMZRCCINO-UHFFFAOYAE
(4)Std. InChI:InChI=1S/C6H10O3/c1-9-5-2-4(3-5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
(5)Std. InChIKey:PRADZEMZRCCINO-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View