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896656-99-8 | 3-Ethoxy-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzaldehyde
CAS No: 896656-99-8 Catalog No: AG01EYSP MDL No:
Product Description
Catalog Number:
AG01EYSP
Chemical Name:
3-Ethoxy-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzaldehyde
CAS Number:
896656-99-8
Molecular Formula:
C17H23NO4
Molecular Weight:
305.3688
IUPAC Name:
3-ethoxy-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzaldehyde
InChI:
InChI=1S/C17H23NO4/c1-3-21-16-10-14(11-19)4-5-15(16)22-12-17(20)18-8-6-13(2)7-9-18/h4-5,10-11,13H,3,6-9,12H2,1-2H3
InChI Key:
XWCFMVBJKNQCEN-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)ccc1OCC(=O)N1CCC(CC1)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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