1,3,3-Trimethyl-5-oxocyclohexanecarboxylic acid


Chemical Name: 1,3,3-Trimethyl-5-oxocyclohexanecarboxylic acid
CAS Number: 91057-32-8
Product Number: AG00390O(AGN-PC-0WAM1V)
Synonyms:
MDL No:
Molecular Formula: C10H16O3
Molecular Weight: 184.2322

Identification/Properties


Computed Properties
Molecular Weight:
184.235g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
184.11g/mol
Monoisotopic Mass:
184.11g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
255
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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