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89296-04-8 | Phenol, 2-(4-methyl-5-isothiazolyl)-
CAS No: 89296-04-8 Catalog No: AG0040D7 MDL No:
Product Description
Catalog Number:
AG0040D7
Chemical Name:
Phenol, 2-(4-methyl-5-isothiazolyl)-
CAS Number:
89296-04-8
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
IUPAC Name:
2-(4-methyl-1,2-thiazol-5-yl)phenol
InChI:
InChI=1S/C10H9NOS/c1-7-6-11-13-10(7)8-4-2-3-5-9(8)12/h2-6,12H,1H3
InChI Key:
OKZWNVOUHRAQJF-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1sncc1C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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