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Home > Pyridines > 123333-55-1
123333-55-1 | 4,4'-Bipyridine, hydrate (1:?)
CAS No: 123333-55-1 Catalog No: AG000KCV MDL No:MFCD00149416
Product Description
Catalog Number:
AG000KCV
Chemical Name:
4,4'-Bipyridine, hydrate (1:?)
CAS Number:
123333-55-1
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD00149416
IUPAC Name:
4-pyridin-4-ylpyridine;hydrate
InChI:
InChI=1S/C10H8N2.H2O/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;/h1-8H;1H2
InChI Key:
JJRKHJXMBCYHSH-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1ccncc1.O
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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