Home Other Building Blocks 3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-ol

3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-ol

CAS No.:
1342289-56-8
Catalog Number:
AG01B1SL
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
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Product Description
Catalog Number:
AG01B1SL
Chemical Name:
3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-ol
CAS Number:
1342289-56-8
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD18872638
IUPAC Name:
3-(4-hydroxyphenyl)-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C8H6N2O3/c11-6-3-1-5(2-4-6)7-9-8(12)13-10-7/h1-4,11H,(H,9,10,12)
InChI Key:
KRZHKSQIFXCQNS-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1noc(n1)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties