3,4-Diethoxybenzoic acid


Chemical Name: 3,4-Diethoxybenzoic acid
CAS Number: 5409-31-4
Product Number: AG00I9NP(AGN-PC-0WAM5I)
Synonyms:
MDL No: MFCD00002504
Molecular Formula: C11H14O4
Molecular Weight: 210.2265

Identification/Properties


Properties
MP:
167-169 °C(lit.)
BP:
330.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5384 (estimate)
Computed Properties
Molecular Weight:
210.229g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
210.089g/mol
Monoisotopic Mass:
210.089g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
205
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
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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