1,3-Benzodioxole-5-methanol


Chemical Name: 1,3-Benzodioxole-5-methanol
CAS Number: 495-76-1
Product Number: AG003O1U(AGN-PC-0JK9I4)
Synonyms:
MDL No:
Molecular Formula: C8H8O3
Molecular Weight: 152.1473

Identification/Properties


Properties
MP:
50-54 °C(lit.);
BP:
282.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4945 (estimate)
Computed Properties
Molecular Weight:
152.149g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
152.047g/mol
Monoisotopic Mass:
152.047g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
137
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


NMR Spectrum


Other Analytical Data


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