Name: Name:1-Eth-1-ynyl-4-hexylbenzene
Brand: Angene
SKU: AG003EA7
Rating: 90 (10 reviews)

1-Eth-1-ynyl-4-hexylbenzene

CAS No.:

79887-11-9

Catalog Number:

AG003EA7

Molecular Formula:

C14H18

Molecular Weight:

186.2927

Pack Size

Purity

Availability

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Price(USD)

Quantity

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United States

$272

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Product Description

Catalog Number:

AG003EA7

Chemical Name:

1-Eth-1-ynyl-4-hexylbenzene

CAS Number:

79887-11-9

Molecular Formula:

C14H18

Molecular Weight:

186.2927

MDL Number:

MFCD00173883

IUPAC Name:

1-ethynyl-4-hexylbenzene

InChI:

InChI=1S/C14H18/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14/h2,9-12H,3,5-8H2,1H3

InChI Key:

NFPDFDTYANKKIU-UHFFFAOYSA-N

SMILES:

CCCCCCc1ccc(cc1)C#C

Properties

Complexity:

176

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.141g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.298g/mol

Monoisotopic Mass:

186.141g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.8

Literature

Title	Journal
Semiconducting 2,6,9,10-tetrakis(phenylethynyl)anthracene derivatives: effect of substitution positions on molecular energies.	Organic letters 20110415

Properties