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82625-42-1 | 2-[4-(1-PIPERIDINYL)BUTOXY]BENZALDEHYDE
CAS No: 82625-42-1 Catalog No: AG005CEK MDL No:MFCD05833026
Product Description
Catalog Number:
AG005CEK
Chemical Name:
2-[4-(1-PIPERIDINYL)BUTOXY]BENZALDEHYDE
CAS Number:
82625-42-1
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
MDL Number:
MFCD05833026
IUPAC Name:
2-(4-piperidin-1-ylbutoxy)benzaldehyde
InChI:
InChI=1S/C16H23NO2/c18-14-15-8-2-3-9-16(15)19-13-7-6-12-17-10-4-1-5-11-17/h2-3,8-9,14H,1,4-7,10-13H2
InChI Key:
YNHSZXNGMTYFAU-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCCCCN1CCCCC1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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