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86108-12-5 | 4'-(2-HYDROXY-NAPHTHALEN-1-YLMETHYLENEAMINO)ACETOPHENONE
CAS No: 86108-12-5 Catalog No: AG004P36 MDL No:
Product Description
Catalog Number:
AG004P36
Chemical Name:
4'-(2-HYDROXY-NAPHTHALEN-1-YLMETHYLENEAMINO)ACETOPHENONE
CAS Number:
86108-12-5
Molecular Formula:
C19H15NO2
Molecular Weight:
289.3279
IUPAC Name:
1-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
InChI:
InChI=1S/C19H15NO2/c1-13(21)14-6-9-16(10-7-14)20-12-18-17-5-3-2-4-15(17)8-11-19(18)22/h2-12,22H,1H3
InChI Key:
BWYALYCPNYTRIP-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1C=Nc1ccc(cc1)C(=O)C)cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.334g/mol
Monoisotopic Mass:
289.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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