CAS
93980-78-0 Purity
96%
93980-78-0 Purity
96%
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Decanoic acid,2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester
CAS
93980-84-8
Catalog Number
ACM93980848
Category
Other Products
Molecular Weight
372.5393
Molecular Formula
C21H40O5
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Specification
Synonyms
EINECS 301-065-0, 2-Hydroxy-3-((1-oxooctyl)oxy)propyl decanoate, 93980-84-8
IUPAC Name
(2-hydroxy-3-octanoyloxypropyl) decanoate
Canonical SMILES
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)O
InChI Key
AMRVOUCEFGMNBS-UHFFFAOYSA-N
Boiling Point
471.4ºC at 760mmHg
Flash Point
149.2ºC
Density
0.98g/cm³
EC Number
301-065-0
Exact Mass
372.28800
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester?
The molecular formula is C21H40O5.
When was Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester first created according to PubChem?
It was first created on July 11, 2007.
What is the molecular weight of Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester?
The molecular weight is 372.5 g/mol.
What is the InChIKey of Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester?
The InChIKey is AMRVOUCEFGMNBS-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester have?
It has 5 hydrogen bond acceptor counts.
What is the XLogP3-AA value of Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester?
The XLogP3-AA value is 6.5.
How many rotatable bond counts does Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester have?
It has 20 rotatable bond counts.
What is the topological polar surface area of Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester?
The topological polar surface area is 72.8 Ų.
Does Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
Is Decanoic acid, 2-hydroxy-3-[(1-oxooctyl)oxy]propyl ester considered a canonicalized compound according to PubChem?
Yes, it is considered a canonicalized compound.
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