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16694-23-8 | 3-Thiophenecarboxylic acid, 2-amino-4-hydroxy-, ethyl ester
CAS No: 16694-23-8 Catalog No: AG001X0G MDL No:
Product Description
Catalog Number:
AG001X0G
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-4-hydroxy-, ethyl ester
CAS Number:
16694-23-8
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
IUPAC Name:
ethyl 2-amino-4-hydroxythiophene-3-carboxylate
InChI:
InChI=1S/C7H9NO3S/c1-2-11-7(10)5-4(9)3-12-6(5)8/h3,9H,2,8H2,1H3
InChI Key:
MWNFUBNNWKPURP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1O
NSC Number:
153307
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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