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793724-55-7 | Benzoic acid, 4-[(E)-[[4-(hexyloxy)phenyl]imino]methyl]-, nonyl ester
CAS No: 793724-55-7 Catalog No: AG005K9X MDL No:
Product Description
Catalog Number:
AG005K9X
Chemical Name:
Benzoic acid, 4-[(E)-[[4-(hexyloxy)phenyl]imino]methyl]-, nonyl ester
CAS Number:
793724-55-7
Molecular Formula:
C29H41NO3
Molecular Weight:
451.6407
IUPAC Name:
nonyl 4-[(4-hexoxyphenyl)iminomethyl]benzoate
InChI:
InChI=1S/C29H41NO3/c1-3-5-7-9-10-11-13-23-33-29(31)26-16-14-25(15-17-26)24-30-27-18-20-28(21-19-27)32-22-12-8-6-4-2/h14-21,24H,3-13,22-23H2,1-2H3
InChI Key:
FULOXPLIXGDVKM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)c1ccc(cc1)/C=N/c1ccc(cc1)OCCCCCC
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.309g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
451.651g/mol
Monoisotopic Mass:
451.309g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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