Benzoic acid,2-(5-formyl-2-furanyl)-, methyl ester


Chemical Name: Benzoic acid,2-(5-formyl-2-furanyl)-, methyl ester
CAS Number: 240121-97-5
Product Number: AG00JJ1B(AGN-PC-0R004P)
Synonyms:
MDL No:
Molecular Formula: C13H10O4
Molecular Weight: 230.2161

Identification/Properties


Computed Properties
Molecular Weight:
230.219g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
230.058g/mol
Monoisotopic Mass:
230.058g/mol
Topological Polar Surface Area:
56.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
289
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

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NMR Spectrum


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