CAS 158576-95-5 | 2-Hexenoic acid, 2,5-dimethyl-, (2E)- | CAS Number 158576-95-5

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158576-95-5 | 2-Hexenoic acid, 2,5-dimethyl-, (2E)-

CAS No: 158576-95-5 Catalog No: AG001QB4 MDL No:

Product Description

Catalog Number:

AG001QB4

Chemical Name:

2-Hexenoic acid, 2,5-dimethyl-, (2E)-

CAS Number:

158576-95-5

Molecular Formula:

C8H14O2

Molecular Weight:

142.1956

IUPAC Name:

2,5-dimethylhex-2-enoic acid

InChI:

InChI=1S/C8H14O2/c1-6(2)4-5-7(3)8(9)10/h5-6H,4H2,1-3H3,(H,9,10)

InChI Key:

BLCHIKLQYBVYAF-UHFFFAOYSA-N

SMILES:

CC(C/C=C(/C(=O)O)\C)C

Properties

Complexity:

145

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

142.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

142.198g/mol

Monoisotopic Mass:

142.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Preparation and surface properties of polyrotaxane-containing tri-block copolymers as a design for dynamic biomaterials surfaces.	Colloids and surfaces. B, Biointerfaces 20120101
Single molecule lifetime fluctuations reveal segmental dynamics in polymers.	Physical review letters 20030718