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Home > Pyridines > 1198285-78-7
1198285-78-7 | 1H-pyrrolo[2,3-b]pyridin-7-ium-7-olate hydrate
CAS No: 1198285-78-7 Catalog No: AG01B7ML MDL No:MFCD11045436
Product Description
Catalog Number:
AG01B7ML
Chemical Name:
1H-pyrrolo[2,3-b]pyridin-7-ium-7-olate hydrate
CAS Number:
1198285-78-7
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD11045436
IUPAC Name:
7-hydroxypyrrolo[2,3-b]pyridine;hydrate
InChI:
InChI=1S/C7H6N2O.H2O/c10-9-5-1-2-6-3-4-8-7(6)9;/h1-5,10H;1H2
InChI Key:
DOYLBOYTUDZCIV-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc2c1[nH]cc2.O
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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