methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate


Chemical Name: methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CAS Number: 119205-38-8
Product Number: AG000IE8(AGN-PC-0KKTH0)
Synonyms:
MDL No:
Molecular Formula: C10H13NO2S
Molecular Weight: 211.2807

Identification/Properties


Computed Properties
Molecular Weight:
211.279g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
211.067g/mol
Monoisotopic Mass:
211.067g/mol
Topological Polar Surface Area:
80.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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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