1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, methyl ester


Chemical Name: 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, methyl ester
CAS Number: 394223-02-0
Product Number: AG003RYR(AGN-PC-01GBFD)
Synonyms:
MDL No: MFCD08752938
Molecular Formula: C9H8N2O2
Molecular Weight: 176.1720

Identification/Properties


Properties
BP:
347.5 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
176.175g/mol
XLogP3:
1.5
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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