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831222-95-8 | 5-Benzofurancarboxylic acid, 7-hydroxy-, ethyl ester
CAS No: 831222-95-8 Catalog No: AG004W3S MDL No:
Product Description
Catalog Number:
AG004W3S
Chemical Name:
5-Benzofurancarboxylic acid, 7-hydroxy-, ethyl ester
CAS Number:
831222-95-8
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
ethyl 7-hydroxy-1-benzofuran-5-carboxylate
InChI:
InChI=1S/C11H10O4/c1-2-14-11(13)8-5-7-3-4-15-10(7)9(12)6-8/h3-6,12H,2H2,1H3
InChI Key:
YKCUOTYYKHCKBN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(O)c2c(c1)cco2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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