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137959-95-6 | 4,6-Dibenzofurandipropanoic acid, 4-ethyl ester
CAS No: 137959-95-6 Catalog No: AG0017QG MDL No:
Product Description
Catalog Number:
AG0017QG
Chemical Name:
4,6-Dibenzofurandipropanoic acid, 4-ethyl ester
CAS Number:
137959-95-6
Molecular Formula:
C20H19O5-
Molecular Weight:
339.3619
IUPAC Name:
3-[6-(3-ethoxy-3-oxopropyl)dibenzofuran-4-yl]propanoate
InChI:
InChI=1S/C20H20O5/c1-2-24-18(23)12-10-14-6-4-8-16-15-7-3-5-13(9-11-17(21)22)19(15)25-20(14)16/h3-8H,2,9-12H2,1H3,(H,21,22)/p-1
InChI Key:
HEIMNODRDYFGCB-UHFFFAOYSA-M
SMILES:
CCOC(=O)CCc1cccc2c1oc1c2cccc1CCC(=O)[O-]
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.123g/mol
Formal Charge:
-1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.367g/mol
Monoisotopic Mass:
339.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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