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127221-02-7 | 1H-Indole-2,5-dicarboxylic acid, 2,5-diethyl ester
CAS No: 127221-02-7 Catalog No: AG000WRC MDL No:MFCD03094964
Product Description
Catalog Number:
AG000WRC
Chemical Name:
1H-Indole-2,5-dicarboxylic acid, 2,5-diethyl ester
CAS Number:
127221-02-7
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD03094964
IUPAC Name:
diethyl 1H-indole-2,5-dicarboxylate
InChI:
InChI=1S/C14H15NO4/c1-3-18-13(16)9-5-6-11-10(7-9)8-12(15-11)14(17)19-4-2/h5-8,15H,3-4H2,1-2H3
InChI Key:
IEFLIZMMNNHRSB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)cc([nH]2)C(=O)OCC
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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