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114498-58-7 | Thiazolo[5,4-c]pyridine-2-carboxylic acid, ethyl ester
CAS No: 114498-58-7 Catalog No: AG000EK0 MDL No:
Product Description
Catalog Number:
AG000EK0
Chemical Name:
Thiazolo[5,4-c]pyridine-2-carboxylic acid, ethyl ester
CAS Number:
114498-58-7
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
ethyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
InChI:
InChI=1S/C9H8N2O2S/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8/h3-5H,2H2,1H3
InChI Key:
NDJJFVWKEXBBNT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c(s1)cncc2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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