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119694-73-4 | 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 5-formyl-, ethyl ester
CAS No: 119694-73-4 Catalog No: AG000PG9 MDL No:
Product Description
Catalog Number:
AG000PG9
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 5-formyl-, ethyl ester
CAS Number:
119694-73-4
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
ethyl 5-formyl-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
InChI:
InChI=1S/C11H10N2O3/c1-2-16-11(15)9-4-7-3-8(6-14)12-5-10(7)13-9/h3-6,13H,2H2,1H3
InChI Key:
MUVBLPAFMJXUCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)cnc(c2)C=O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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