1,3-Cyclopentanedione


Chemical Name: 1,3-Cyclopentanedione
CAS Number: 3859-41-4
Product Number: AG0032LE(AGN-PC-0CZN9J)
Synonyms:
MDL No:
Molecular Formula: C5H6O2
Molecular Weight: 98.0999

Identification/Properties


Properties
MP:
149-151 °C(lit.)
BP:
221.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4400 (estimate)
Computed Properties
Molecular Weight:
98.101g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
98.037g/mol
Monoisotopic Mass:
98.037g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
101
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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