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Home > Pyridines > 276879-45-9
276879-45-9 | 3-Pyridinol, 4-[[(phenylmethyl)imino]methyl]-
CAS No: 276879-45-9 Catalog No: AG002UGB MDL No:
Product Description
Catalog Number:
AG002UGB
Chemical Name:
3-Pyridinol, 4-[[(phenylmethyl)imino]methyl]-
CAS Number:
276879-45-9
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
4-(benzyliminomethyl)pyridin-3-ol
InChI:
InChI=1S/C13H12N2O/c16-13-10-14-7-6-12(13)9-15-8-11-4-2-1-3-5-11/h1-7,9-10,16H,8H2
InChI Key:
HJMWMSMLPCAIBI-UHFFFAOYSA-N
SMILES:
Oc1cnccc1C=NCc1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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