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1260382-21-5 | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-amino-, ethyl ester
CAS No: 1260382-21-5 Catalog No: AG000QSX MDL No:
Product Description
Catalog Number:
AG000QSX
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-amino-, ethyl ester
CAS Number:
1260382-21-5
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
InChI:
InChI=1S/C10H11N3O2/c1-2-15-10(14)9-4-7-8(13-9)3-6(11)5-12-7/h3-5,13H,2,11H2,1H3
InChI Key:
JMLQYRIUXWWSOG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)cc(cn2)N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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