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175136-30-8 | 4-Thiazoleethanol, 5-methyl-2-phenyl-
CAS No: 175136-30-8 Catalog No: AG002093 MDL No:MFCD00218793
Product Description
Catalog Number:
AG002093
Chemical Name:
4-Thiazoleethanol, 5-methyl-2-phenyl-
CAS Number:
175136-30-8
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
MDL Number:
MFCD00218793
IUPAC Name:
2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanol
InChI:
InChI=1S/C12H13NOS/c1-9-11(7-8-14)13-12(15-9)10-5-3-2-4-6-10/h2-6,14H,7-8H2,1H3
InChI Key:
LFWWGOVVMHFOKV-UHFFFAOYSA-N
SMILES:
OCCc1nc(sc1C)c1ccccc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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