3-Thiophenecarboxylic acid, 2-amino-4-(2-methylpropyl)-, ethyl ester


Chemical Name: 3-Thiophenecarboxylic acid, 2-amino-4-(2-methylpropyl)-, ethyl ester
CAS Number: 72965-15-2
Product Number: AG00ICC4(AGN-PC-0KZOV4)
Synonyms:
MDL No:
Molecular Formula: C11H17NO2S
Molecular Weight: 227.3232

Identification/Properties


Computed Properties
Molecular Weight:
227.322g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
227.098g/mol
Monoisotopic Mass:
227.098g/mol
Topological Polar Surface Area:
80.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
221
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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