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868947-76-6 | Propanedioic acid, (1H-indol-4-yloxy)-, diethyl ester
CAS No: 868947-76-6 Catalog No: AG004LVM MDL No:
Product Description
Catalog Number:
AG004LVM
Chemical Name:
Propanedioic acid, (1H-indol-4-yloxy)-, diethyl ester
CAS Number:
868947-76-6
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
IUPAC Name:
diethyl 2-(1H-indol-4-yloxy)propanedioate
InChI:
InChI=1S/C15H17NO5/c1-3-19-14(17)13(15(18)20-4-2)21-12-7-5-6-11-10(12)8-9-16-11/h5-9,13,16H,3-4H2,1-2H3
InChI Key:
DXCNQXWUOLNHNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Oc1cccc2c1cc[nH]2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.303g/mol
Monoisotopic Mass:
291.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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