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35582-21-9

35582-21-9 | 3-(1,3-thiazol-4-yl)phenol

CAS No: 35582-21-9 Catalog No: AG019RKF MDL No:MFCD17977225

Product Description

Catalog Number:
AG019RKF
Chemical Name:
3-(1,3-thiazol-4-yl)phenol
CAS Number:
35582-21-9
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD17977225
IUPAC Name:
3-(1,3-thiazol-4-yl)phenol
InChI:
InChI=1S/C9H7NOS/c11-8-3-1-2-7(4-8)9-5-12-6-10-9/h1-6,11H
InChI Key:
FSDVYBGJPOICOE-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1cscn1

Properties

Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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