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90563-68-1 | 4-(2-THIAZOLIN-2-YL)PHENOL
CAS No: 90563-68-1 Catalog No: AG006CG1 MDL No:
Product Description
Catalog Number:
AG006CG1
Chemical Name:
4-(2-THIAZOLIN-2-YL)PHENOL
CAS Number:
90563-68-1
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
4-(4,5-dihydro-1,3-thiazol-2-yl)phenol
InChI:
InChI=1S/C9H9NOS/c11-8-3-1-7(2-4-8)9-10-5-6-12-9/h1-4,11H,5-6H2
InChI Key:
JDBUEZWQOCUAJT-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1=NCCS1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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