Home Carboxys 3-Thiophenecarboxylic acid, 4-amino-2-methyl-, methyl ester

3-Thiophenecarboxylic acid, 4-amino-2-methyl-, methyl ester

CAS No.:
114943-05-4
Catalog Number:
AG00HCXL
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
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Product Description
Catalog Number:
AG00HCXL
Chemical Name:
3-Thiophenecarboxylic acid, 4-amino-2-methyl-, methyl ester
CAS Number:
114943-05-4
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD01570124
IUPAC Name:
methyl 4-amino-2-methylthiophene-3-carboxylate
InChI:
InChI=1S/C7H9NO2S/c1-4-6(7(9)10-2)5(8)3-11-4/h3H,8H2,1-2H3
InChI Key:
WGXXITACOCKKFJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)scc1N
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties