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1245806-95-4 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4-amino-1-methyl-, methyl ester
CAS No: 1245806-95-4 Catalog No: AG000MEB MDL No:
Product Description
Catalog Number:
AG000MEB
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 4-amino-1-methyl-, methyl ester
CAS Number:
1245806-95-4
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
methyl 4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carboxylate
InChI:
InChI=1S/C10H11N3O2/c1-13-5-6(10(14)15-2)8-7(13)3-4-12-9(8)11/h3-5H,1-2H3,(H2,11,12)
InChI Key:
FZHZZJKWVUTZCQ-UHFFFAOYSA-N
SMILES:
Cn1cc(c2c1ccnc2N)C(=O)OC
Properties
Complexity:
259
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:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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