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59965-53-6 | 2-Ethoxy-4-hydroxythiazole-5-carbonitrile
CAS No: 59965-53-6 Catalog No: AG003H60 MDL No:MFCD21641303
Product Description
Catalog Number:
AG003H60
Chemical Name:
2-Ethoxy-4-hydroxythiazole-5-carbonitrile
CAS Number:
59965-53-6
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD21641303
IUPAC Name:
2-ethoxy-4-hydroxy-1,3-thiazole-5-carbonitrile
InChI:
InChI=1S/C6H6N2O2S/c1-2-10-6-8-5(9)4(3-7)11-6/h9H,2H2,1H3
InChI Key:
PMGJBSHMCHYQKW-UHFFFAOYSA-N
SMILES:
CCOc1nc(c(s1)C#N)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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