2-Propenoic acid, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester


Chemical Name: 2-Propenoic acid, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester
CAS Number: 52591-27-2
Product Number: AG00DBWH(AGN-PC-0JLE7Y)
Synonyms:
MDL No:
Molecular Formula: C9H7F9O2
Molecular Weight: 318.1363088

Identification/Properties


Computed Properties
Molecular Weight:
318.139g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
7
Exact Mass:
318.03g/mol
Monoisotopic Mass:
318.03g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
372
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:
Danger
UN#:
3272
Hazard Statements:
H315-H319-H226
Precautionary Statements:
P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P303+P361+P353-P332+P313-P362-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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