Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester


Chemical Name: Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester
CAS Number: 17159-80-7
Product Number: AG0077OV(AGN-PC-0JLWHU)
Synonyms:
MDL No: MFCD00192156
Molecular Formula: C9H16O3
Molecular Weight: 172.2215

Identification/Properties


Computed Properties
Molecular Weight:
172.224g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
172.11g/mol
Monoisotopic Mass:
172.11g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
148
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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