3-Furancarboxylic acid, 2-methyl-


Chemical Name: 3-Furancarboxylic acid, 2-methyl-
CAS Number: 6947-94-0
Product Number: AG003HPA(AGN-PC-0BFD4A)
Synonyms:
MDL No:
Molecular Formula: C6H6O3
Molecular Weight: 126.1100

Identification/Properties


Properties
MP:
102-105 °C
BP:
231.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.4189 (estimate)
Computed Properties
Molecular Weight:
126.111g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
126.032g/mol
Monoisotopic Mass:
126.032g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
122
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:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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