n-Heptanoic acid 4-(5-n-octylpyrimidin-2-yl)phenyl ester

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Catalog Number

ACM58415911

Product Name

Structure

CAS

58415-91-1

Category

Heterocyclic Organic Compound

Synonyms

Heptanoic acid, 4-(5-octyl-2-pyrimidinyl)phenyl ester

IUPAC Name

[4-(5-octylpyrimidin-2-yl)phenyl] heptanoate

Molecular Weight

396.57

Molecular Formula

C25H36N2O2

Canonical SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCC

InChI

InChI=1S/C25H36N2O2/c1-3-5-7-9-10-11-13-21-19-26-25(27-20-21)22-15-17-23(18-16-22)29-24(28)14-12-8-6-4-2/h15-20H,3-14H2,1-2H3

InChI Key

PYMMEHPLFYFSIW-UHFFFAOYSA-N

Boiling Point

462.8±37.0 ºC

Density

1.008±0.06 g/ml

Exact Mass

396.27800

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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