CAS
952573-42-1 Purity
96%
952573-42-1 Purity
96%
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mono-Heptafluorobutyl fumarate
CAS
952584-86-0
Catalog Number
ACM952584860
Category
Other Products
Molecular Weight
298.1117
Molecular Formula
C8H5F7O4
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Specification
Synonyms
952584-86-0, mono-(2H,2H-Perfluorobut-1-yl) fumarate, mono-(2H,2H-Perfluorobut-1-yl) fumarate 97+%
IUPAC Name
4-(2,2,3,3,4,4,4-heptafluorobutoxy)-4-oxobut-2-enoic acid
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C=CC(=O)O
InChI Key
GAIGXXPLWNCDAG-UHFFFAOYSA-N
Boiling Point
252.3±40.0 °C (760 mmHg)
Density
1.564±0.06 g/cm³(20 °C , 760mmHg)
Exact Mass
298.00800
H-Bond Acceptor
11
H-Bond Donor
1
What is the molecular formula of mono-Heptafluorobutyl fumarate?
The molecular formula is C8H5F7O4.
What is the molecular weight of mono-Heptafluorobutyl fumarate?
The molecular weight is 298.11 g/mol.
What is the IUPAC name of mono-Heptafluorobutyl fumarate?
The IUPAC name is (E)-4-(2,2,3,3,4,4,4-heptafluorobutoxy)-4-oxobut-2-enoic acid.
What is the InChI of mono-Heptafluorobutyl fumarate?
The InChI is InChI=1S/C8H5F7O4/c9-6(10,7(11,12)8(13,14)15)3-19-5(18)2-1-4(16)17/h1-2H,3H2,(H,16,17)/b2-1+.
What is the InChIKey of mono-Heptafluorobutyl fumarate?
The InChIKey is GAIGXXPLWNCDAG-OWOJBTEDSA-N.
What is the canonical SMILES of mono-Heptafluorobutyl fumarate?
The canonical SMILES is C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C=CC(=O)O.
What is the isomeric SMILES of mono-Heptafluorobutyl fumarate?
The isomeric SMILES is C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)/C=C/C(=O)O.
What is the XLogP3-AA value of mono-Heptafluorobutyl fumarate?
The XLogP3-AA value is 2.3.
How many hydrogen bond donor counts does mono-Heptafluorobutyl fumarate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does mono-Heptafluorobutyl fumarate have?
It has 11 hydrogen bond acceptor counts.
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