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885280-35-3 | [2-(3,4-DIMETHYL-PHENYL)-THIAZOL-4-YL]-METHANOL
CAS No: 885280-35-3 Catalog No: AG00GS63 MDL No:MFCD06738402
Product Description
Catalog Number:
AG00GS63
Chemical Name:
[2-(3,4-DIMETHYL-PHENYL)-THIAZOL-4-YL]-METHANOL
CAS Number:
885280-35-3
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
MDL Number:
MFCD06738402
IUPAC Name:
[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanol
InChI:
InChI=1S/C12H13NOS/c1-8-3-4-10(5-9(8)2)12-13-11(6-14)7-15-12/h3-5,7,14H,6H2,1-2H3
InChI Key:
JNFXAHGZXZFYHE-UHFFFAOYSA-N
SMILES:
OCc1csc(n1)c1ccc(c(c1)C)C
Properties
Complexity:
212
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:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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