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2060038-91-5 | 5-(2-hydroxyethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridine-3-carbaldehyde
CAS No: 2060038-91-5 Catalog No: AG01BO4B MDL No:MFCD30498694
Product Description
Catalog Number:
AG01BO4B
Chemical Name:
5-(2-hydroxyethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridine-3-carbaldehyde
CAS Number:
2060038-91-5
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD30498694
IUPAC Name:
5-(2-hydroxyethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H12N2O2S/c1-6-8(3-4-14)7(2)12-11-10(6)9(5-15)13-16-11/h5,14H,3-4H2,1-2H3
InChI Key:
FOYFCYQMMIBNRC-UHFFFAOYSA-N
SMILES:
OCCc1c(C)nc2c(c1C)c(C=O)ns2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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