Tridecanoic acid, methyl ester


Chemical Name: Tridecanoic acid, methyl ester
CAS Number: 1731-88-0
Product Number: AG001YLX(AGN-PC-00BE8A)
Synonyms:
MDL No:
Molecular Formula: C14H28O2
Molecular Weight: 228.3709

Identification/Properties


Computed Properties
Molecular Weight:
228.376g/mol
XLogP3:
6.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
12
Exact Mass:
228.209g/mol
Monoisotopic Mass:
228.209g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
155
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:
Danger
UN#:
3265
Hazard Statements:
H318
Precautionary Statements:
P280-P305+P351+P338
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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