Home Carboxys Methyl 3-acetamidothiophene-2-carboxylate

Methyl 3-acetamidothiophene-2-carboxylate

CAS No.:
22288-79-5
Catalog Number:
AG003RQP
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
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Product Description
Catalog Number:
AG003RQP
Chemical Name:
Methyl 3-acetamidothiophene-2-carboxylate
CAS Number:
22288-79-5
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD00100044
IUPAC Name:
methyl 3-acetamidothiophene-2-carboxylate
InChI:
InChI=1S/C8H9NO3S/c1-5(10)9-6-3-4-13-7(6)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChI Key:
VVGYLIJOPUUXJN-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1NC(=O)C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties