Home Carboxys methyl 5-ethynylthiophene-2-carboxylate

methyl 5-ethynylthiophene-2-carboxylate

CAS No.:
177575-26-7
Catalog Number:
AG01EMT3
Molecular Formula:
C8H6O2S
Molecular Weight:
166.1970
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Product Description
Catalog Number:
AG01EMT3
Chemical Name:
methyl 5-ethynylthiophene-2-carboxylate
CAS Number:
177575-26-7
Molecular Formula:
C8H6O2S
Molecular Weight:
166.1970
IUPAC Name:
methyl 5-ethynylthiophene-2-carboxylate
InChI:
InChI=1S/C8H6O2S/c1-3-6-4-5-7(11-6)8(9)10-2/h1,4-5H,2H3
InChI Key:
XUAVEBBIBRCCAU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(s1)C#C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.194g/mol
Monoisotopic Mass:
166.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties