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125569-40-6 | 3-Pentanol, 2-[(2,6-dimethylphenyl)imino]-3-ethyl-1-(phenylmethoxy)-
CAS No: 125569-40-6 Catalog No: AG000NWU MDL No:
Product Description
Catalog Number:
AG000NWU
Chemical Name:
3-Pentanol, 2-[(2,6-dimethylphenyl)imino]-3-ethyl-1-(phenylmethoxy)-
CAS Number:
125569-40-6
Molecular Formula:
C22H29NO2
Molecular Weight:
339.4712
IUPAC Name:
2-(2,6-dimethylphenyl)imino-3-ethyl-1-phenylmethoxypentan-3-ol
InChI:
InChI=1S/C22H29NO2/c1-5-22(24,6-2)20(16-25-15-19-13-8-7-9-14-19)23-21-17(3)11-10-12-18(21)4/h7-14,24H,5-6,15-16H2,1-4H3
InChI Key:
XNGVLHHAJRCANS-UHFFFAOYSA-N
SMILES:
CCC(C(=Nc1c(C)cccc1C)COCc1ccccc1)(CC)O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.22g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.479g/mol
Monoisotopic Mass:
339.22g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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