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741252-05-1 | 4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
CAS No: 741252-05-1 Catalog No: AG01AUX0 MDL No:MFCD06589806
Product Description
Catalog Number:
AG01AUX0
Chemical Name:
4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
CAS Number:
741252-05-1
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD06589806
IUPAC Name:
4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C13H18N2O2/c1-14-4-6-15(7-5-14)9-12-8-11(10-16)2-3-13(12)17/h2-3,8,10,17H,4-7,9H2,1H3
InChI Key:
RSGCVVRIRVIRDS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)CN1CCN(CC1)C)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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