CAS
94138-83-7 Purity
96%
94138-83-7 Purity
96%
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Lithium(9Z,12Z,15Z)-9,12,15-octadecatrienoate
CAS
94138-91-7
Catalog Number
ACM94138917
Category
Other Products
Molecular Weight
284.362660 [g/mol]
Molecular Formula
C18H29LiO2
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Specification
Synonyms
463-40-1 (Parent), EINECS 303-006-4, CID9882275, Lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate, 94138-91-7
IUPAC Name
lithium (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Canonical SMILES
[Li+].CCC=CCC=CCC=CCCCCCCCC(=O)[O-]
InChI Key
DYWHQKKVLYASPF-IFNWOZJISA-M
Boiling Point
443.4ºC at 760mmHg
Flash Point
275.7ºC
Density
0.924g/cm³
EC Number
303-006-4
Exact Mass
284.23300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate?
The molecular formula is C18H29LiO2.
When was lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate first created in the database?
It was first created on February 5, 2008.
What is the molecular weight of lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate?
The molecular weight is 284.4 g/mol.
What is the IUPAC name of lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate?
The IUPAC name is lithium;(9Z,12Z,15Z)-octadeca-9,12,15-trienoate.
What is the Canonical SMILES representation of lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate?
The Canonical SMILES is [Li+].CCC=CCC=CCC=CCCCCCCCC(=O)[O-].
What is the InChIKey of lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate?
The InChIKey is DYWHQKKVLYASPF-IFNWOZJISA-M.
How many hydrogen bond acceptor counts does lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate have?
It has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate?
The topological polar surface area is 40.1 Å2.
How many rotatable bond counts does lithium (9Z,12Z,15Z)-9,12,15-octadecatrienoate have?
It has 13 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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