Home Carboxys 2-Thiophenecarboxylicacid,5-amino-3-(methoxymethyl)-,methylester(9CI)

2-Thiophenecarboxylicacid,5-amino-3-(methoxymethyl)-,methylester(9CI)

CAS No.:
712262-13-0
Catalog Number:
AG00FXY4
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
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Product Description
Catalog Number:
AG00FXY4
Chemical Name:
2-Thiophenecarboxylicacid,5-amino-3-(methoxymethyl)-,methylester(9CI)
CAS Number:
712262-13-0
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD20486149
IUPAC Name:
methyl 5-amino-3-(methoxymethyl)thiophene-2-carboxylate
InChI:
InChI=1S/C8H11NO3S/c1-11-4-5-3-6(9)13-7(5)8(10)12-2/h3H,4,9H2,1-2H3
InChI Key:
POTSTZPYKIFMKY-UHFFFAOYSA-N
SMILES:
COCc1cc(sc1C(=O)OC)N
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties