2-Benzofurancarboxylic acid, 5-formyl-, ethyl ester


Chemical Name: 2-Benzofurancarboxylic acid, 5-formyl-, ethyl ester
CAS Number: 10035-37-7
Product Number: AG00ITLD(AGN-PC-00M5H8)
Synonyms:
MDL No:
Molecular Formula: C12H10O4
Molecular Weight: 218.2054

Identification/Properties


Computed Properties
Molecular Weight:
218.208g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
218.058g/mol
Monoisotopic Mass:
218.058g/mol
Topological Polar Surface Area:
56.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
276
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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