Hexanoic acid, 6-[(triphenylmethyl)thio]-


Chemical Name: Hexanoic acid, 6-[(triphenylmethyl)thio]-
CAS Number: 80441-55-0
Product Number: AG003N0H(AGN-PC-03BTAM)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Properties
BP:
536.7±38.0 °C(Predicted)
Form:
Solid
Computed Properties
Molecular Weight:
390.541g/mol
XLogP3:
6.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
10
Exact Mass:
390.165g/mol
Monoisotopic Mass:
390.165g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
400
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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