Benzoic acid, 4-formyl-, ethyl ester


Chemical Name: Benzoic acid, 4-formyl-, ethyl ester
CAS Number: 6287-86-1
Product Number: AG00EAIU(AGN-PC-0JLSOM)
Synonyms:
MDL No:
Molecular Formula: C10H10O3
Molecular Weight: 178.1846

Identification/Properties


Computed Properties
Molecular Weight:
178.187g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
178.063g/mol
Monoisotopic Mass:
178.063g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
181
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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