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Home > Pyridines > 865076-13-7
865076-13-7 | 3-?(1-?Oxido-?4-?pyridinyl)?-1,?5-?pentanediol
CAS No: 865076-13-7 Catalog No: AG01EXZ1 MDL No:
Product Description
Catalog Number:
AG01EXZ1
Chemical Name:
3-?(1-?Oxido-?4-?pyridinyl)?-1,?5-?pentanediol
CAS Number:
865076-13-7
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
3-(1-oxidopyridin-1-ium-4-yl)pentane-1,5-diol
InChI:
InChI=1S/C10H15NO3/c12-7-3-10(4-8-13)9-1-5-11(14)6-2-9/h1-2,5-6,10,12-13H,3-4,7-8H2
InChI Key:
IGIXLUJFTDREHV-UHFFFAOYSA-N
SMILES:
OCCC(c1cc[n+](cc1)[O-])CCO
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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