1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)-, diethyl ester


Chemical Name: 1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)-, diethyl ester
CAS Number: 181425-91-2
Product Number: AG0022UZ(AGN-PC-0JTQXQ)
Synonyms:
MDL No:
Molecular Formula: C13H16O5
Molecular Weight: 252.2631

Identification/Properties


Properties
MP:
82-85℃(lit.)
Form:
Solid
Computed Properties
Molecular Weight:
252.266g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
252.1g/mol
Monoisotopic Mass:
252.1g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
263
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


NMR Spectrum


Other Analytical Data


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