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1119449-75-0 | 4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]benzaldehyde
CAS No: 1119449-75-0 Catalog No: AG0090L1 MDL No:MFCD12026917
Product Description
Catalog Number:
AG0090L1
Chemical Name:
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]benzaldehyde
CAS Number:
1119449-75-0
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
MDL Number:
MFCD12026917
IUPAC Name:
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C15H21NO2/c1-12-4-3-7-16(9-12)10-14-8-13(11-17)5-6-15(14)18-2/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3
InChI Key:
PISJPJSRMYEKGK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CN1CCCC(C1)C)C=O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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