Benzoic acid, 2,4-dihydroxy-, methyl ester


Chemical Name: Benzoic acid, 2,4-dihydroxy-, methyl ester
CAS Number: 2150-47-2
Product Number: AG0032ZJ(AGN-PC-0JKCXR)
Synonyms:
MDL No:
Molecular Formula: C8H8O4
Molecular Weight: 168.1467

Identification/Properties


Properties
MP:
118-121 °C(lit.);
BP:
352°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5090 (estimate)
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
168.148g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
168.042g/mol
Monoisotopic Mass:
168.042g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
168
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-H412
Precautionary Statements:
P261-P273-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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