CAS 13695-31-3 | 2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester | CAS Number 13695-31-3

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13695-31-3 | 2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester

CAS No: 13695-31-3 Catalog No: AG0012M0 MDL No:MFCD00039251

Product Description

Catalog Number:

AG0012M0

Chemical Name:

2-Propenoic acid, 2-methyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester

CAS Number:

13695-31-3

Molecular Formula:

C8H7F7O2

Molecular Weight:

268.1288

MDL Number:

MFCD00039251

IUPAC Name:

2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate

InChI:

InChI=1S/C8H7F7O2/c1-4(2)5(16)17-3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3

InChI Key:

VIEHKBXCWMMOOU-UHFFFAOYSA-N

SMILES:

O=C(C(=C)C)OCC(C(C(F)(F)F)(F)F)(F)F

EC Number:

237-217-7

Properties

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.131g/mol

Monoisotopic Mass:

268.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Synthesis and characterization of fluorinated magnetic core-shell nanoparticles for inhibition of insulin amyloid fibril formation.	Nanotechnology 20090603
Influence of electronic properties of naphthalene compounds on contact angles.	The journal of physical chemistry. B 20060126