CAS
94248-76-7 Purity
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94248-76-7 Purity
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Isooctyl nonan-1-oate
CAS
94248-79-0
Catalog Number
ACM94248790
Category
Other Products
Molecular Weight
270.450660 [g/mol]
Molecular Formula
C17H34O2
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Specification
Synonyms
Isooctyl nonan-1-oate, EINECS 304-353-4, 94248-79-0
IUPAC Name
6-methylheptyl nonanoate
SMILES
CCCCCCCCC(=O)OCCCCCC(C)C
InChI Key
PJFUXKUGWYCBQR-UHFFFAOYSA-N
EC Number
304-353-4
Exact Mass
270.25600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Isooctyl nonan-1-oate?
The molecular formula is C17H34O2.
What are some synonyms for Isooctyl nonan-1-oate?
Synonyms include 94248-79-0, EINECS 304-353-4, SCHEMBL6378092, and DTXSID40241298.
When was Isooctyl nonan-1-oate created in PubChem?
It was created on August 20, 2009.
What is the IUPAC name of Isooctyl nonan-1-oate?
The IUPAC name is 6-methylheptyl nonanoate.
What is the InChIKey of Isooctyl nonan-1-oate?
The InChIKey is PJFUXKUGWYCBQR-UHFFFAOYSA-N.
What is the molecular weight of Isooctyl nonan-1-oate?
The molecular weight is 270.5 g/mol.
How many hydrogen bond acceptors does Isooctyl nonan-1-oate have?
It has 2 hydrogen bond acceptors.
What is the topological polar surface area of Isooctyl nonan-1-oate?
The topological polar surface area is 26.3 Ų.
How many rotatable bond counts does Isooctyl nonan-1-oate have?
It has 14 rotatable bond counts.
Is Isooctyl nonan-1-oate a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem (release 2021.10.14).
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