Home Carboxys 3-Thiophenecarboxylic acid, 5-nitro-, methyl ester

3-Thiophenecarboxylic acid, 5-nitro-, methyl ester

CAS No.:
88770-22-3
Catalog Number:
AG004CZS
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
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Product Description
Catalog Number:
AG004CZS
Chemical Name:
3-Thiophenecarboxylic acid, 5-nitro-, methyl ester
CAS Number:
88770-22-3
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
MDL Number:
MFCD01934527
IUPAC Name:
methyl 5-nitrothiophene-3-carboxylate
InChI:
InChI=1S/C6H5NO4S/c1-11-6(8)4-2-5(7(9)10)12-3-4/h2-3H,1H3
InChI Key:
NXVKWUOGNGQZTR-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(c1)[N+](=O)[O-]
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.994g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.169g/mol
Monoisotopic Mass:
186.994g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties