ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate


Chemical Name: ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate
CAS Number: 1080026-94-3
Product Number: AG007DOP(AGN-PC-07CNBI)
Synonyms:
MDL No:
Molecular Formula: C10H13NO2S
Molecular Weight: 211.2807

Identification/Properties


Computed Properties
Molecular Weight:
211.279g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
211.067g/mol
Monoisotopic Mass:
211.067g/mol
Topological Polar Surface Area:
66.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
222
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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