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112562-63-7 | 2-[3-(4-METHYL-1-PIPERAZINYL)PROPOXY]BENZALDEHYDE OXALATE
CAS No: 112562-63-7 Catalog No: AG008VLH MDL No:MFCD08691794
Product Description
Catalog Number:
AG008VLH
Chemical Name:
2-[3-(4-METHYL-1-PIPERAZINYL)PROPOXY]BENZALDEHYDE OXALATE
CAS Number:
112562-63-7
Molecular Formula:
C15H23ClN2O2
Molecular Weight:
298.8083
MDL Number:
MFCD08691794
IUPAC Name:
2-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
InChI:
InChI=1S/C15H22N2O2/c1-16-8-10-17(11-9-16)7-4-12-19-15-6-3-2-5-14(15)13-18/h2-3,5-6,13H,4,7-12H2,1H3
InChI Key:
JGLHGBUSDDCFKB-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCCCN1CCN(CC1)C.Cl
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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