Benzeneacetic acid, 4-carboxy-3-ethoxy-


Chemical Name: Benzeneacetic acid, 4-carboxy-3-ethoxy-
CAS Number: 220438-80-2
Product Number: AG00C2H8(AGN-PC-00OR2P)
Synonyms:
MDL No:
Molecular Formula: C11H12O5
Molecular Weight: 224.20998

Identification/Properties


Computed Properties
Molecular Weight:
224.212g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
224.068g/mol
Monoisotopic Mass:
224.068g/mol
Topological Polar Surface Area:
83.8A^2
Heavy Atom Count:
16
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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