3-Aminobenzylacetate


Chemical Name: 3-Aminobenzylacetate
CAS Number: 68969-82-4
Product Number: AG01B6E2(AGN-PC-0WALWB)
Synonyms:
MDL No:
Molecular Formula: C9H11NO2
Molecular Weight: 165.1891

Identification/Properties


Computed Properties
Molecular Weight:
165.192g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
165.079g/mol
Monoisotopic Mass:
165.079g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
159
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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