4-Benzoxazolol


Chemical Name: 4-Benzoxazolol
CAS Number: 89590-22-7
Product Number: AG007J7M(AGN-PC-00NPBO)
Synonyms:
MDL No:
Molecular Formula: C7H5NO2
Molecular Weight: 135.1201

Identification/Properties


Computed Properties
Molecular Weight:
135.122g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
135.032g/mol
Monoisotopic Mass:
135.032g/mol
Topological Polar Surface Area:
46.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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