Cas no 126831-82-1 (Benzenepropanoic acid, heptyl ester)

Benzenepropanoic acid, heptyl ester structure
126831-82-1 structure
Product Name:Benzenepropanoic acid, heptyl ester
CAS No:126831-82-1
MF:C16H24O2
MW:248.360565185547
CID:1224571
Update Time:2024-08-05

Benzenepropanoic acid, heptyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoic acid, heptyl ester
    • Inchi: 1S/C16H24O2/c1-2-3-4-5-9-14-18-16(17)13-12-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
    • InChI Key: BIQXYXKBSSYQNG-UHFFFAOYSA-N
    • SMILES: C1(CCC(OCCCCCCC)=O)=CC=CC=C1

Computed Properties

  • Exact Mass: 248.17772

Experimental Properties

  • PSA: 26.3
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