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88796-28-5 | Ethyl 5-amino-3-methylthiophene-2-carboxylate
CAS No: 88796-28-5 Catalog No: AG004B0T MDL No:MFCD02257685
Product Description
Catalog Number:
AG004B0T
Chemical Name:
Ethyl 5-amino-3-methylthiophene-2-carboxylate
CAS Number:
88796-28-5
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD02257685
IUPAC Name:
ethyl 5-amino-3-methylthiophene-2-carboxylate
InChI:
InChI=1S/C8H11NO2S/c1-3-11-8(10)7-5(2)4-6(9)12-7/h4H,3,9H2,1-2H3
InChI Key:
QMRFJZLWZKXXEH-UHFFFAOYSA-N
SMILES:
Cc1cc(sc1C(=O)OCC)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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