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82488-62-8 | 4-[1-(benzylamino)ethylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one
CAS No: 82488-62-8 Catalog No: AG0050AK MDL No:
Product Description
Catalog Number:
AG0050AK
Chemical Name:
4-[1-(benzylamino)ethylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one
CAS Number:
82488-62-8
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
4-(N-benzyl-C-methylcarbonimidoyl)benzene-1,3-diol
InChI:
InChI=1S/C15H15NO2/c1-11(14-8-7-13(17)9-15(14)18)16-10-12-5-3-2-4-6-12/h2-9,17-18H,10H2,1H3
InChI Key:
UYOMBKBZFZFMRL-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=C(NCc2ccccc2)C)C(=C1)O
NSC Number:
126253
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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