4-methylcyclohexane-1-carboxylic acid


Chemical Name: 4-methylcyclohexane-1-carboxylic acid
CAS Number: 4331-54-8
Product Number: AG003LRS(AGN-PC-0JKF82)
Synonyms:
MDL No:
Molecular Formula: C8H14O2
Molecular Weight: 142.1956

Identification/Properties


Properties
BP:
247.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.4598(lit.)
Computed Properties
Molecular Weight:
142.198g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
142.099g/mol
Monoisotopic Mass:
142.099g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
123
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:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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