1,3-Benzodioxol-5-ol


Chemical Name: 1,3-Benzodioxol-5-ol
CAS Number: 533-31-3
Product Number: AG003DH2(AGN-PC-086DQT)
Synonyms:
MDL No:
Molecular Formula: C7H6O3
Molecular Weight: 138.1207

Identification/Properties


Properties
MP:
62-65 °C(lit.)
BP:
113-116°C 2mm
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Refractive Index:
1.4850 (estimate)
Computed Properties
Molecular Weight:
138.122g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
138.032g/mol
Monoisotopic Mass:
138.032g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
126
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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