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885280-47-7 | 4-Thiazolemethanol,2-(3-ethylphenyl)-
CAS No: 885280-47-7 Catalog No: AG00IF5K MDL No:MFCD06738396
Product Description
Catalog Number:
AG00IF5K
Chemical Name:
4-Thiazolemethanol,2-(3-ethylphenyl)-
CAS Number:
885280-47-7
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
MDL Number:
MFCD06738396
IUPAC Name:
[2-(3-ethylphenyl)-1,3-thiazol-4-yl]methanol
InChI:
InChI=1S/C12H13NOS/c1-2-9-4-3-5-10(6-9)12-13-11(7-14)8-15-12/h3-6,8,14H,2,7H2,1H3
InChI Key:
DAIWNXQDLCWDDN-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1)c1scc(n1)CO
Properties
Complexity:
200
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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