3,4-Dihydroxybenzoic Acid


Chemical Name: 3,4-Dihydroxybenzoic Acid
CAS Number: 99-50-3
Product Number: AG003IHN(AGN-PC-0WA7RO)
Synonyms:
MDL No:
Molecular Formula: C7H6O4
Molecular Weight: 154.1201

Identification/Properties


Properties
MP:
197-200 °C (dec.)(lit.)
BP:
410.7 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.6400 (estimate)
Solubility:
20g/l
Computed Properties
Molecular Weight:
154.121g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
154.027g/mol
Monoisotopic Mass:
154.027g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
157
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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