2-Furancarboxylic acid, 5-(4-aminophenyl)-, methyl ester


Chemical Name: 2-Furancarboxylic acid, 5-(4-aminophenyl)-, methyl ester
CAS Number: 52939-06-7
Product Number: AG00D9V0(AGN-PC-006ITO)
Synonyms:
MDL No:
Molecular Formula: C12H11NO3
Molecular Weight: 217.2206

Identification/Properties


Properties
MP:
122-126 °C(lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
217.224g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
217.074g/mol
Monoisotopic Mass:
217.074g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
249
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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