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120654-22-0 | Benzaldehyde, 4-[[6-(acetyloxy)hexyl]methylamino]-
CAS No: 120654-22-0 Catalog No: AG0080VH MDL No:
Product Description
Catalog Number:
AG0080VH
Chemical Name:
Benzaldehyde, 4-[[6-(acetyloxy)hexyl]methylamino]-
CAS Number:
120654-22-0
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
IUPAC Name:
6-(4-formyl-N-methylanilino)hexyl acetate
InChI:
InChI=1S/C16H23NO3/c1-14(19)20-12-6-4-3-5-11-17(2)16-9-7-15(13-18)8-10-16/h7-10,13H,3-6,11-12H2,1-2H3
InChI Key:
GDOADJDESNBAHV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N(CCCCCCOC(=O)C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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