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Home > Pyridines > 119004-79-4
119004-79-4 | 1,3-Benzenediol, 4-[(2-pyridinylimino)methyl]-
CAS No: 119004-79-4 Catalog No: AG000P18 MDL No:
Product Description
Catalog Number:
AG000P18
Chemical Name:
1,3-Benzenediol, 4-[(2-pyridinylimino)methyl]-
CAS Number:
119004-79-4
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
4-(pyridin-2-yliminomethyl)benzene-1,3-diol
InChI:
InChI=1S/C12H10N2O2/c15-10-5-4-9(11(16)7-10)8-14-12-3-1-2-6-13-12/h1-8,15-16H
InChI Key:
NKIQLBVTHNEKLY-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C=Nc1ccccn1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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