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Home > Pyridines > 824432-36-2
824432-36-2 | Pyridinium, 1-[8-[3-[4-(2-methylpropyl)phenyl]-1-oxobutoxy]octyl]-
CAS No: 824432-36-2 Catalog No: AG004VZG MDL No:
Product Description
Catalog Number:
AG004VZG
Chemical Name:
Pyridinium, 1-[8-[3-[4-(2-methylpropyl)phenyl]-1-oxobutoxy]octyl]-
CAS Number:
824432-36-2
Molecular Formula:
C27H40NO2+
Molecular Weight:
410.6120
IUPAC Name:
8-pyridin-1-ium-1-yloctyl 3-[4-(2-methylpropyl)phenyl]butanoate
InChI:
InChI=1S/C27H40NO2/c1-23(2)21-25-13-15-26(16-14-25)24(3)22-27(29)30-20-12-7-5-4-6-9-17-28-18-10-8-11-19-28/h8,10-11,13-16,18-19,23-24H,4-7,9,12,17,20-22H2,1-3H3/q+1
InChI Key:
XRLBFPUVMVOYFH-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C(CC(=O)OCCCCCCCC[n+]1ccccc1)C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.306g/mol
Formal Charge:
1
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.622g/mol
Monoisotopic Mass:
410.306g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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