Structure

Isbogrel

CAS
89667-40-3
Catalog Number
ACM89667403
Category
Other Products
Molecular Weight
281.35
Molecular Formula
C18H19NO2

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Specification

Synonyms
ISBOGREL;(E)-7-Phenyl-7-(3-pyridinyl)-6-heptenoic acid;CV-4151
IUPAC Name
(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
Canonical SMILES
C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2
InChI Key
UWPBQLKEHGGKKD-GZTJUZNOSA-N
Boiling Point
481.7ºC at 760 mmHg
Flash Point
245.1ºC
Density
1.122g/cm³
Exact Mass
281.14200
H-Bond Acceptor
3
H-Bond Donor
1
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