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388088-79-7 | [5-(2-METHYL-1,3-THIAZOL-4-YL)-3-ISOXAZOLYL]METHANOL
CAS No: 388088-79-7 Catalog No: AG00BYOU MDL No:MFCD03086111
Product Description
Catalog Number:
AG00BYOU
Chemical Name:
[5-(2-METHYL-1,3-THIAZOL-4-YL)-3-ISOXAZOLYL]METHANOL
CAS Number:
388088-79-7
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD03086111
IUPAC Name:
[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanol
InChI:
InChI=1S/C8H8N2O2S/c1-5-9-7(4-13-5)8-2-6(3-11)10-12-8/h2,4,11H,3H2,1H3
InChI Key:
ANQHCDZMYKOBKX-UHFFFAOYSA-N
SMILES:
OCc1noc(c1)c1csc(n1)C
Properties
Complexity:
182
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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