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1198420-91-5 | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-amino-, methyl ester
CAS No: 1198420-91-5 Catalog No: AG000PRW MDL No:
Product Description
Catalog Number:
AG000PRW
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 6-amino-, methyl ester
CAS Number:
1198420-91-5
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
methyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-14-9(13)8-3-6-7(12-8)2-5(10)4-11-6/h2-4,12H,10H2,1H3
InChI Key:
FLUWEDMGPYMKGI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)cc(cn2)N
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:
0.6
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