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1311569-08-0 | 1H-Pyrrolo[2,3-b]pyridine-2,6-dicarboxylic acid, 2,6-diethyl ester
CAS No: 1311569-08-0 Catalog No: AG000VMI MDL No:MFCD20921650
Product Description
Catalog Number:
AG000VMI
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2,6-dicarboxylic acid, 2,6-diethyl ester
CAS Number:
1311569-08-0
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD20921650
IUPAC Name:
diethyl 1H-pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
InChI:
InChI=1S/C13H14N2O4/c1-3-18-12(16)9-6-5-8-7-10(13(17)19-4-2)15-11(8)14-9/h5-7H,3-4H2,1-2H3,(H,14,15)
InChI Key:
FYIUVILNUXZUPQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(n1)[nH]c(c2)C(=O)OCC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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