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Home > Aldehydes > 890092-19-0
890092-19-0 | 4-(4-Acetylpiperazin-1-yl)benzaldehyde
CAS No: 890092-19-0 Catalog No: AG01AR14 MDL No:MFCD05862988
Product Description
Catalog Number:
AG01AR14
Chemical Name:
4-(4-Acetylpiperazin-1-yl)benzaldehyde
CAS Number:
890092-19-0
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD05862988
IUPAC Name:
4-(4-acetylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C13H16N2O2/c1-11(17)14-6-8-15(9-7-14)13-4-2-12(10-16)3-5-13/h2-5,10H,6-9H2,1H3
InChI Key:
DYRIBKWUSUQUNN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCN(CC1)C(=O)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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