Benzoic acid, 4-(5-formyl-2-furanyl)-


Chemical Name: Benzoic acid, 4-(5-formyl-2-furanyl)-
CAS Number: 39245-15-3
Product Number: AG0075X9(AGN-PC-0JTSAD)
Synonyms:
MDL No:
Molecular Formula: C12H8O4
Molecular Weight: 216.1895

Identification/Properties


Computed Properties
Molecular Weight:
216.192g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
216.042g/mol
Monoisotopic Mass:
216.042g/mol
Topological Polar Surface Area:
67.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
268
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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