p-Amyl acetophenone

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Catalog Number

ACM37593025

Product Name

p-Amyl acetophenone

Structure

CAS

37593-02-5

Category

Heterocyclic Organic Compound

IUPAC Name

1-(4-pentylphenyl)ethanone

Molecular Weight

190.28g/mol

Molecular Formula

C13H18O

Canonical SMILES

CCCCCC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C13H18O/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-10H,3-6H2,1-2H3

InChI Key

KBKGPMDADJLBEM-UHFFFAOYSA-N

Complexity

166

Covalently-Bonded Unit Count

Exact Mass

190.135765g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

190.135765g/mol

NSC Number

172891

Rotatable Bond Count

XLogP3

3.8

MSDS

COA

Spec Sheet

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