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Home > Nitro Compounds > 1190322-42-9
1190322-42-9 | 1H-Pyrrolo[2,3-b]pyridin-4-ol, 3-nitro-
CAS No: 1190322-42-9 Catalog No: AG000I1Z MDL No:
Product Description
Catalog Number:
AG000I1Z
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-4-ol, 3-nitro-
CAS Number:
1190322-42-9
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
IUPAC Name:
3-nitro-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
InChI:
InChI=1S/C7H5N3O3/c11-5-1-2-8-7-6(5)4(3-9-7)10(12)13/h1-3H,(H2,8,9,11)
InChI Key:
TVJNGHOQQCLWQP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c2c1c(O)ccn2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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