methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate


Chemical Name: methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate
CAS Number: 108128-12-7
Product Number: AG008XQP(AGN-PC-0AC17N)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O2
Molecular Weight: 176.1720

Identification/Properties


Computed Properties
Molecular Weight:
176.175g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
176.059g/mol
Monoisotopic Mass:
176.059g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
208
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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