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Cas Database |
| Name |
1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester |
EINECS | N/A |
| CAS No. | 24863-70-5 | Density | 1.023 g/cm3 |
| PSA | 43.37000 | LogP | 2.78930 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H20O3 | Boiling Point | 327.5 °C at 760 mmHg |
| Molecular Weight | 224.3 | Flash Point | 141.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methyl(3-oxo-2-pentyl-1-cyclopenten-1-yl)acetate;Methyl2-pentyl-3-oxo-1-cyclopentenylacetate;3-Oxo-2-pentyl-1-cyclopentene-1-acetic acid methyl ester; |
Article Data | 2 |
1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester Chemical Properties
Molecular Structure of 1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester (CAS NO.24863-70-5):
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IUPAC Name: Methyl 2-(3-oxo-2-pentylcyclopenten-1-yl)acetate
Canonical SMILES: CCCCCC1=C(CCC1=O)CC(=O)OC
InChI: InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h3-9H2,1-2H3
InChIKey: GJYFXPRHTPSOMM-UHFFFAOYSA-N
Molecular Weight: 224.2961 g/mol
Molecular Formula: C13H20O3
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Tautomer Count: 17
Exact Mass: 224.141245
MonoIsotopic Mass: 224.141245
Topological Polar Surface Area: 43.4
Heavy Atom Count: 16
Complexity: 302
Index of Refraction: 1.475
Molar Refractivity: 61.74 cm3
Molar Volume: 219.1 cm3
Surface Tension: 34.7 dyne/cm
Density: 1.023 g/cm3
Flash Point: 141.6 °C
Enthalpy of Vaporization: 56.98 kJ/mol
Boiling Point: 327.5 °C at 760 mmHg
Vapour Pressure: 0.000202 mmHg at 25 °C
1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester Specification
1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester (CAS NO.24863-70-5), its Synonyms are Methyl 2-(3-oxo-2-pentyl-1-cyclopentenyl)acetate ; 2-Pentyl-3-oxo-1-cyclopentene-1-acetic acid methyl ester ; 3-Oxo-2-pentyl-1-cyclopentene-1-acetic acid methyl ester .
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