Home Carboxys methyl 5-acetylthiophene-3-carboxylate

methyl 5-acetylthiophene-3-carboxylate

CAS No.:
88770-21-2
Catalog Number:
AG01B9MM
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
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Product Description
Catalog Number:
AG01B9MM
Chemical Name:
methyl 5-acetylthiophene-3-carboxylate
CAS Number:
88770-21-2
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD28397410
IUPAC Name:
methyl 5-acetylthiophene-3-carboxylate
InChI:
InChI=1S/C8H8O3S/c1-5(9)7-3-6(4-12-7)8(10)11-2/h3-4H,1-2H3
InChI Key:
BAMXDNRTNCZDKJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(c1)C(=O)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:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties