CAS
97028-90-5 Purity
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97028-90-5 Purity
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Ethyl 8-oxododecanoate
CAS
97037-83-7
Catalog Number
ACM97037837
Category
Other Products
Molecular Weight
242.35
Molecular Formula
C14H26O3
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Specification
Synonyms
ETHYL 8-OXODODECANOATE
IUPAC Name
ethyl 8-oxododecanoate
Canonical SMILES
CCCCC(=O)CCCCCCC(=O)OCC
InChI Key
MTPJRQYMPYHMKN-UHFFFAOYSA-N
Boiling Point
332.415ºC at 760 mmHg
Flash Point
141.524ºC
Density
0.931g/cm³
Exact Mass
242.18800
H-Bond Acceptor
3
H-Bond Donor
0
What is the IUPAC name of the compound CID 13398884?
The IUPAC name is ethyl 8-oxododecanoate.
What is the molecular formula of ethyl 8-oxododecanoate?
The molecular formula is C14H26O3.
What is the molecular weight of ethyl 8-oxododecanoate?
The molecular weight is 242.35 g/mol.
What is the InChIKey of ethyl 8-oxododecanoate?
The InChIKey is MTPJRQYMPYHMKN-UHFFFAOYSA-N.
How many hydrogen bond acceptors does ethyl 8-oxododecanoate have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of ethyl 8-oxododecanoate?
The topological polar surface area is 43.4 Ų.
Does ethyl 8-oxododecanoate have any defined atom stereocenters?
No, it does not have any defined atom stereocenters.
What is the rotatable bond count of ethyl 8-oxododecanoate?
The rotatable bond count is 12.
Is ethyl 8-oxododecanoate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the exact mass of ethyl 8-oxododecanoate?
The exact mass is 242.18819469 g/mol.
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