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17544-01-3 | 2-Naphthalenol, 1-[(E)-(2-pyridinylimino)methyl]-
CAS No: 17544-01-3 Catalog No: AG002108 MDL No:
Product Description
Catalog Number:
AG002108
Chemical Name:
2-Naphthalenol, 1-[(E)-(2-pyridinylimino)methyl]-
CAS Number:
17544-01-3
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
1-(pyridin-2-yliminomethyl)naphthalen-2-ol
InChI:
InChI=1S/C16H12N2O/c19-15-9-8-12-5-1-2-6-13(12)14(15)11-18-16-7-3-4-10-17-16/h1-11,19H
InChI Key:
VXEIALPYLNOWSH-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1/C=N/c1ccccn1)cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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