CAS
94159-74-7 Purity
96%
94159-74-7 Purity
96%
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4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1-(vinyloxy)undecan-2-ol
CAS
94159-86-1
Catalog Number
ACM94159861
Category
Other Products
Molecular Weight
520.1822144
Molecular Formula
C13H9F17O2
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Specification
Synonyms
EINECS 303-267-4, CID3023875, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-1-(vinyloxy)undecan-2-ol, 94159-86-1
IUPAC Name
1-ethenoxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol
SMILES
C=COCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI Key
XLLVATUSJHKQQF-UHFFFAOYSA-N
Boiling Point
259ºC at 760mmHg
Flash Point
126ºC
Density
1.55g/cm³
EC Number
303-267-4
Exact Mass
520.03300
H-Bond Acceptor
19
H-Bond Donor
1
What is the molecular formula of the compound referenced in PubChem CID 3023875?
The molecular formula is C13H9F17O2.
When was the compound created and last modified in PubChem?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 1-ethenoxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol.
What is the InChIKey of the compound?
The InChIKey is XLLVATUSJHKQQF-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES is C=COCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.
What is the molecular weight of the compound?
The molecular weight is 520.18 g/mol.
How many hydrogen bond donor counts does the compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 29.5 Ų.
How many rotatable bond counts does the compound have?
It has 11 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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