CAS
584-13-5 Purity
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584-13-5 Purity
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n-Heptanoic acid 4-(5-n-octylpyrimidin-2-yl)phenyl ester
CAS
58415-91-1
Catalog Number
ACM58415911
Category
Other Products
Molecular Weight
396.57
Molecular Formula
C25H36N2O2
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Specification
Synonyms
Heptanoic acid, 4-(5-octyl-2-pyrimidinyl)phenyl ester
IUPAC Name
[4-(5-octylpyrimidin-2-yl)phenyl] heptanoate
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
4
H-Bond Donor
0
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