3-Methyl-2-cyclopenten-1-one


Chemical Name: 3-Methyl-2-cyclopenten-1-one
CAS Number: 2758-18-1
Product Number: AG002U5B(AGN-PC-0WA8U0)
Synonyms:
MDL No:
Molecular Formula: C6H8O
Molecular Weight: 96.1271

Identification/Properties


Properties
MP:
3-5°C
BP:
157.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.488(lit.)
Computed Properties
Molecular Weight:
96.129g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
96.058g/mol
Monoisotopic Mass:
96.058g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
122
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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