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Home > Aldehydes > 155454-68-5
155454-68-5 | Benzaldehyde, 2-hydroxy-5-methyl-3-[(4-methyl-1-piperazinyl)methyl]-
CAS No: 155454-68-5 Catalog No: AG001NXR MDL No:
Product Description
Catalog Number:
AG001NXR
Chemical Name:
Benzaldehyde, 2-hydroxy-5-methyl-3-[(4-methyl-1-piperazinyl)methyl]-
CAS Number:
155454-68-5
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
2-hydroxy-5-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C14H20N2O2/c1-11-7-12(14(18)13(8-11)10-17)9-16-5-3-15(2)4-6-16/h7-8,10,18H,3-6,9H2,1-2H3
InChI Key:
LMQKBGRALSTILZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1O)CN1CCN(CC1)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:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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