1,3-Benzodioxole-4-carboxylic acid


Chemical Name: 1,3-Benzodioxole-4-carboxylic acid
CAS Number: 5768-39-8
Product Number: AG003DH3(AGN-PC-0JOOQX)
Synonyms:
MDL No:
Molecular Formula: C8H6O4
Molecular Weight: 166.1308

Identification/Properties


Properties
MP:
224 °C
BP:
318.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
166.132g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
166.027g/mol
Monoisotopic Mass:
166.027g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
192
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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