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1190322-62-3 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-amino-, methyl ester
CAS No: 1190322-62-3 Catalog No: AG000I2U MDL No:
Product Description
Catalog Number:
AG000I2U
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 3-amino-, methyl ester
CAS Number:
1190322-62-3
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
methyl 3-amino-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-14-9(13)5-2-6-7(10)4-12-8(6)11-3-5/h2-4H,10H2,1H3,(H,11,12)
InChI Key:
PVKVCMWWGJUDGH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(N)c[nH]c2nc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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