Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester


Chemical Name: Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester
CAS Number: 39924-52-2
Product Number: AG003DTN(AGN-PC-00BJLF)
Synonyms:
MDL No:
Molecular Formula: C13H20O3
Molecular Weight: 224.2961

Identification/Properties


Properties
BP:
302.9°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Refractive Index:
n20/D 1.474(lit.)
Solubility:
water: soluble340mg/L at 25°C(lit.)
Computed Properties
Molecular Weight:
224.3g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
224.141g/mol
Monoisotopic Mass:
224.141g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
281
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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