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926257-63-8 | 7-(hydroxymethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CAS No: 926257-63-8 Catalog No: AG019VAV MDL No:MFCD08442964
Product Description
Catalog Number:
AG019VAV
Chemical Name:
7-(hydroxymethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CAS Number:
926257-63-8
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD08442964
IUPAC Name:
7-(hydroxymethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C8H8N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h2,4,11H,3H2,1H3
InChI Key:
CFFHJFDYYKPWHN-UHFFFAOYSA-N
SMILES:
OCc1cc(=O)n2c(n1)scc2C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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