Benzoic acid, 4-amino-3,5-dimethyl-, methyl ester


Chemical Name: Benzoic acid, 4-amino-3,5-dimethyl-, methyl ester
CAS Number: 3095-48-5
Product Number: AG0031QV(AGN-PC-0NEQ32)
Synonyms:
MDL No:
Molecular Formula: C10H13NO2
Molecular Weight: 179.2157

Identification/Properties


Computed Properties
Molecular Weight:
179.219g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
179.095g/mol
Monoisotopic Mass:
179.095g/mol
Topological Polar Surface Area:
52.3A^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

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NMR Spectrum


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