CAS 1560-06-1 | Benzene, 2-buten-1-yl- | CAS Number 1560-06-1

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1560-06-1 | Benzene, 2-buten-1-yl-

CAS No: 1560-06-1 Catalog No: AG001OEU MDL No:

Product Description

Catalog Number:

AG001OEU

Chemical Name:

Benzene, 2-buten-1-yl-

CAS Number:

1560-06-1

Molecular Formula:

C10H12

Molecular Weight:

132.2023

IUPAC Name:

[(E)-but-2-enyl]benzene

InChI:

InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3/b3-2+

InChI Key:

VUKHQPGJNTXTPY-NSCUHMNNSA-N

SMILES:

CCC=Cc1ccccc1

EC Number:

216-328-4

UNII:

7UF46BAB8U

NSC Number:

65602

Properties

Complexity:

96.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

132.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

132.206g/mol

Monoisotopic Mass:

132.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
A quantitative structure-reactivity relationship in decarboxylative Claisen rearrangement reactions of allylic tosylmalonate esters.	Chemical communications (Cambridge, England) 20081207
Intramolecular electrophilic aromatic substitution in gas-phase-protonated difunctional compounds containing one or two arylmethyl groups.	Journal of mass spectrometry : JMS 20031101