CAS
89-88-3 Purity
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89-88-3 Purity
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10,12,15-Octadecatrienoicacid,9-hydroxy-,(9S,10E,12Z,15Z)-
CAS
89886-42-0
Catalog Number
ACM89886420
Category
Other Products
Molecular Weight
294.429
Molecular Formula
C18H30O3
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Specification
Synonyms
9(S)-HOT;9(S)-HOTRE;9(S)-HYDROXY-10(E),12(Z),15(Z)-OCTADECATRIENOIC ACID;(9S810E812Z,15Z)-9-HYDROXY-10,12,15-*OCTADECATRIENO;9(R)-Hydroxy-10(E),12(Z),15(Z)-octadecatrienoic acid;9-hydroxy-10,12,15-octadecatrienoic acid
IUPAC Name
(9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
Canonical SMILES
CCC=CCC=CC=CC(CCCCCCCC(=O)O)O
InChI Key
RIGGEAZDTKMXSI-MEBVTJQTSA-N
Boiling Point
428.9ºCat 760 mmHg
Flash Point
227.3ºC
Density
0.984 g/cm³
Appearance
A solution in ethanol
Exact Mass
294.21900
Hazard Statements
F: Flammable;
H-Bond Acceptor
3
H-Bond Donor
2
Safety Description
7-16
What is the molecular formula of 9(S)-HOTrE?
The molecular formula of 9(S)-HOTrE is C18H30O3.
What is the molecular weight of 9(S)-HOTrE?
The molecular weight of 9(S)-HOTrE is 294.4 g/mol.
What is the IUPAC name of 9(S)-HOTrE?
The IUPAC name of 9(S)-HOTrE is (9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid.
What is the InChI key of 9(S)-HOTrE?
The InChI key of 9(S)-HOTrE is RIGGEAZDTKMXSI-MEBVTJQTSA-N.
What is the canonical SMILES of 9(S)-HOTrE?
The canonical SMILES of 9(S)-HOTrE is CCC=CCC=CC=CC(CCCCCCCC(=O)O)O.
What is the CAS number of 9(S)-HOTrE?
The CAS number of 9(S)-HOTrE is 89886-42-0.
What is the XLogP3-AA value of 9(S)-HOTrE?
The XLogP3-AA value of 9(S)-HOTrE is 4.7.
How many hydrogen bond donor counts does 9(S)-HOTrE have?
9(S)-HOTrE has 2 hydrogen bond donor counts.
How many rotatable bond counts does 9(S)-HOTrE have?
9(S)-HOTrE has 13 rotatable bond counts.
What is the topological polar surface area of 9(S)-HOTrE?
The topological polar surface area of 9(S)-HOTrE is 57.5 ?^2.
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