2 ETHYL HEXANOIC ACID


Chemical Name: 2 ETHYL HEXANOIC ACID
CAS Number: 149-57-5
Product Number: AG001LC6(AGN-PC-0WAIYD)
Synonyms:
MDL No:
Molecular Formula: C8H16O2
Molecular Weight: 144.2114

Identification/Properties


Computed Properties
Molecular Weight:
144.214g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
144.115g/mol
Monoisotopic Mass:
144.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
99.4
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:
H303+H313-H316-H361
Precautionary Statements:
P201-P202-P280-P312-P332+P313-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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