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23405-31-4 | 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-, ethyl ester
CAS No: 23405-31-4 Catalog No: AG002N3I MDL No:
Product Description
Catalog Number:
AG002N3I
Chemical Name:
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-, ethyl ester
CAS Number:
23405-31-4
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
ethyl 1-oxo-3H-2-benzofuran-5-carboxylate
InChI:
InChI=1S/C11H10O4/c1-2-14-10(12)7-3-4-9-8(5-7)6-15-11(9)13/h3-5H,2,6H2,1H3
InChI Key:
RAQLQVDNIKWBRL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)COC2=O
EC Number:
245-635-6
Properties
Complexity:
274
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:
0
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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