Benzeneacetic acid, a-amino-, methyl ester


Chemical Name: Benzeneacetic acid, a-amino-, methyl ester
CAS Number: 26682-99-5
Product Number: AG00BFA2(AGN-PC-0R2N4H)
Synonyms:
MDL No:
Molecular Formula: C9H11NO2
Molecular Weight: 165.1891

Identification/Properties


Computed Properties
Molecular Weight:
165.192g/mol
XLogP3:
0.9
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:
153
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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