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82625-46-5 | Benzaldehyde, 4-[3-(1-piperidinyl)propoxy]-
CAS No: 82625-46-5 Catalog No: AG005CEJ MDL No:
Product Description
Catalog Number:
AG005CEJ
Chemical Name:
Benzaldehyde, 4-[3-(1-piperidinyl)propoxy]-
CAS Number:
82625-46-5
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
4-(3-piperidin-1-ylpropoxy)benzaldehyde
InChI:
InChI=1S/C15H21NO2/c17-13-14-5-7-15(8-6-14)18-12-4-11-16-9-2-1-3-10-16/h5-8,13H,1-4,9-12H2
InChI Key:
LKFZIDIRWPHNEA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCCN1CCCCC1
Properties
Complexity:
231
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:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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