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1190321-98-2 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-amino-
CAS No: 1190321-98-2 Catalog No: AG000I0C MDL No:MFCD12963471
Product Description
Catalog Number:
AG000I0C
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-amino-
CAS Number:
1190321-98-2
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD12963471
IUPAC Name:
3-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c9-5-3-11-7-6(5)4(8(12)13)1-2-10-7/h1-3H,9H2,(H,10,11)(H,12,13)
InChI Key:
CGOLVCIDJMKFBF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1c(N)c[nH]2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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