Cyclohexanecarboxylic acid, 3-oxo-


Chemical Name: Cyclohexanecarboxylic acid, 3-oxo-
CAS Number: 16205-98-4
Product Number: AG001SOZ(AGN-PC-00K3YV)
Synonyms:
MDL No: MFCD01320172
Molecular Formula: C7H10O3
Molecular Weight: 142.1525

Identification/Properties


Properties
MP:
70-74°C
BP:
309.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
142.154g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
142.063g/mol
Monoisotopic Mass:
142.063g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H302-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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