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1194374-18-9 | Thieno[3,2-b]pyridine-3-carboxylic acid, 2-amino-, ethyl ester
CAS No: 1194374-18-9 Catalog No: AG000IRI MDL No:
Product Description
Catalog Number:
AG000IRI
Chemical Name:
Thieno[3,2-b]pyridine-3-carboxylic acid, 2-amino-, ethyl ester
CAS Number:
1194374-18-9
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
ethyl 2-aminothieno[3,2-b]pyridine-3-carboxylate
InChI:
InChI=1S/C10H10N2O2S/c1-2-14-10(13)7-8-6(15-9(7)11)4-3-5-12-8/h3-5H,2,11H2,1H3
InChI Key:
ATWCWWHTHRMICU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)sc2c1nccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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