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628325-62-2 | 3-(4-Methylpiperazinyl)benzaldehyde
CAS No: 628325-62-2 Catalog No: AG003I55 MDL No:MFCD09030500
Product Description
Catalog Number:
AG003I55
Chemical Name:
3-(4-Methylpiperazinyl)benzaldehyde
CAS Number:
628325-62-2
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD09030500
IUPAC Name:
3-(4-methylpiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H16N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9-10H,5-8H2,1H3
InChI Key:
LQDFMHOZQXAHNJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)N1CCN(CC1)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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