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2060052-10-8 | 5-(hydroxymethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridine-3-carbaldehyde
CAS No: 2060052-10-8 Catalog No: AG01BO4D MDL No:MFCD30498696
Product Description
Catalog Number:
AG01BO4D
Chemical Name:
5-(hydroxymethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridine-3-carbaldehyde
CAS Number:
2060052-10-8
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD30498696
IUPAC Name:
5-(hydroxymethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C10H10N2O2S/c1-5-7(3-13)6(2)11-10-9(5)8(4-14)12-15-10/h4,13H,3H2,1-2H3
InChI Key:
GOLJGFREYVNGQW-UHFFFAOYSA-N
SMILES:
OCc1c(C)nc2c(c1C)c(C=O)ns2
Properties
Complexity:
252
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:
2
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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