structure of Benzenebutanoic acid, 4-acetyl-

Benzenebutanoic acid, 4-acetyl-

CAS No.: 100117-48-4
M. Wt: 206.23800
M. Fa: C12H14O3
InChI Key: BLKZSCZBOQMBKO-UHFFFAOYSA-N

Names and Identifiers of Benzenebutanoic acid, 4-acetyl-

CAS Number

100117-48-4

IUPAC Name

4-(4-acetylphenyl)butanoic acid

InChI

InChI=1S/C12H14O3/c1-9(13)11-7-5-10(6-8-11)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)

InChIKey

BLKZSCZBOQMBKO-UHFFFAOYSA-N

Canonical SMILES

CC(=O)C1=CC=C(C=C1)CCCC(=O)O

Physical and chemical properties of Benzenebutanoic acid, 4-acetyl-

Exact Mass

206.09400

LogP

2.29650

Molecular Formula

C12H14O3

Molecular Weight

206.23800

PSA

54.37000

Retrosynthesis analysis of Benzenebutanoic acid, 4-acetyl-

  • Route#1

    Cas:71665-59-3
    Cas:100117-48-4

  • Route#2

    Cas:1821-12-1
    Cas:100117-48-4

  • Route#3

    Cas:10031-93-3
    Cas:100117-48-4