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89787-27-9 | Cyclohexanone, 2-[[(4-acetylphenyl)methylamino]methyl]-
CAS No: 89787-27-9 Catalog No: AG003ZW4 MDL No:
Product Description
Catalog Number:
AG003ZW4
Chemical Name:
Cyclohexanone, 2-[[(4-acetylphenyl)methylamino]methyl]-
CAS Number:
89787-27-9
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
IUPAC Name:
2-[[(4-acetylphenyl)methylamino]methyl]cyclohexan-1-one
InChI:
InChI=1S/C16H21NO2/c1-12(18)14-8-6-13(7-9-14)10-17-11-15-4-2-3-5-16(15)19/h6-9,15,17H,2-5,10-11H2,1H3
InChI Key:
HONBFINXCWNSRC-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CNCc1ccc(cc1)C(=O)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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