Cyclopentanecarboxylic acid, 3-oxo-, methyl ester supplier

Name
methyl 3-oxocyclopentane-1-carboxylate
EINECS
CAS No. 32811-75-9
Article Data27
CAS DataBase
Density 1.157 g/cm³
Solubility
Melting Point
Formula C₇H₁₀O₃
Boiling Point 209.7 °C at 760 mmHg
Molecular Weight 142.155
Flash Point 84 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-41-52
Molecular Structure
Hazard Symbols Xn
Synonyms Methyl3-oxocyclopentanecarboxylate;NSC 41335;
PSA 43.37000
LogP 0.52860

Cyclopentanecarboxylic acid, 3-oxo-, methyl ester Specification

The Cyclopentanecarboxylic acid, 3-oxo-, methyl ester, with the CAS registry number 32811-75-9, is also known as Methyl3-oxocyclopentanecarboxylate. This chemical's molecular formula is C₇H₁₀O₃ and molecular weight is 142.1525. What's more, its IUPAC name is Methyl 3-oxocyclopentane-1-carboxylate.

Physical properties about Cyclopentanecarboxylic acid, 3-oxo-, methyl ester are: (1) ACD/LogP: -0.48; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 43.37 Å²; (7) Index of Refraction: 1.467; (8) Molar Refractivity: 34.13 cm³; (9) Molar Volume: 122.8 cm³; (10) Polarizability: 13.53×10^-24 cm³; (11) Surface Tension: 40.2 dyne/cm; (12) Density: 1.157 g/cm³; (13) Flash Point: 84 °C; (14) Enthalpy of Vaporization: 44.6 kJ/mol; (15) Boiling Point: 209.7 °C at 760 mmHg; (16) Vapour Pressure: 0.2 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCC(C(=O)OC)C1
(2) InChI: InChI=1/C7H10O3/c1-10-7(9)5-2-3-6(8)4-5/h5H,2-4H2,1H3
(3) InChIKey: KTGCFXSELRVRFH-UHFFFAOYAA

Product Name

methyl 3-oxocyclopentane-1-carboxylate

Cyclopentanecarboxylic acid, 3-oxo-, methyl ester Specification

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