Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester


Chemical Name: Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester
CAS Number: 3943-74-6
Product Number: AG00359A(AGN-PC-0JKEXG)
Synonyms:
MDL No:
Molecular Formula: C9H10O4
Molecular Weight: 182.1733

Identification/Properties


Properties
MP:
64-67 °C(lit.)
BP:
286°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4500 (estimate)
Solubility:
Soluble in chloroform and methanol.
Computed Properties
Molecular Weight:
182.175g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
182.058g/mol
Monoisotopic Mass:
182.058g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
181
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


Other Analytical Data


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