Benzaldehyde,3,4,5-trihydroxy-, hydrate (1:1)


Chemical Name: Benzaldehyde,3,4,5-trihydroxy-, hydrate (1:1)
CAS Number: 207742-88-9
Product Number: AG002J91(AGN-PC-0QWKMW)
Synonyms:
MDL No:
Molecular Formula: C7H8O5
Molecular Weight: 172.1354

Identification/Properties


Properties
MP:
218 °C (dec.)
BP:
453.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
172.136g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
172.037g/mol
Monoisotopic Mass:
172.037g/mol
Topological Polar Surface Area:
78.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
135
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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