Benzaldehyde, 3,4-dihydroxy-


Chemical Name: Benzaldehyde, 3,4-dihydroxy-
CAS Number: 139-85-5
Product Number: AG0033IM(AGN-PC-00TTYX)
Synonyms:
MDL No:
Molecular Formula: C7H6O3
Molecular Weight: 138.1207

Identification/Properties


Properties
MP:
150-157 °C
BP:
213.5°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.4600 (estimate)
Solubility:
6.3g/l
Computed Properties
Molecular Weight:
138.122g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
138.032g/mol
Monoisotopic Mass:
138.032g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
124
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


PNMR/34-Dihydroxybenzaldehyde-139-85-5-hnmr.pdf

Other Analytical Data


POTHER/34-Dihydroxybenzaldehyde-139-85-5-hplc.pdf

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