2-Propenoic acid, 6-[(4'-cyano[1,1'-biphenyl]-4-yl)oxy]hexyl ester


Chemical Name: 2-Propenoic acid, 6-[(4'-cyano[1,1'-biphenyl]-4-yl)oxy]hexyl ester
CAS Number: 89823-23-4
Product Number: AG00GUQW(AGN-PC-008ON9)
Synonyms:
MDL No:
Molecular Formula: C22H23NO3
Molecular Weight: 349.42292

Identification/Properties


Computed Properties
Molecular Weight:
349.43g/mol
XLogP3:
5.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
11
Exact Mass:
349.168g/mol
Monoisotopic Mass:
349.168g/mol
Topological Polar Surface Area:
59.3A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
465
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H317
Precautionary Statements:
P501-P261-P272-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P333+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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