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207511-18-0 | Pyridine, 4-methoxy-, 1-oxide, hydrate (1:?)
CAS No: 207511-18-0 Catalog No: AG002J3X MDL No:MFCD00149410
Product Description
Catalog Number:
AG002J3X
Chemical Name:
Pyridine, 4-methoxy-, 1-oxide, hydrate (1:?)
CAS Number:
207511-18-0
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
MDL Number:
MFCD00149410
IUPAC Name:
4-methoxy-1-oxidopyridin-1-ium;hydrate
InChI:
InChI=1S/C6H7NO2.H2O/c1-9-6-2-4-7(8)5-3-6;/h2-5H,1H3;1H2
InChI Key:
ABJMARLKAXBQBC-UHFFFAOYSA-N
SMILES:
COc1cc[n+](cc1)[O-].O
Properties
Complexity:
79.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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