CAS
94248-65-4 Purity
96%
94248-65-4 Purity
96%
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Sodium isooctyl phthalate
CAS
94248-71-2
Catalog Number
ACM94248712
Category
Other Products
Molecular Weight
300.32531
Molecular Formula
C16H22O4Na
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Specification
Synonyms
Sodium isooctyl phthalate, EINECS 304-345-0, 94248-71-2
IUPAC Name
sodium 2-(6-methylheptoxycarbonyl)benzoate
Canonical SMILES
CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]
InChI Key
FBHDGNOSRSDXNN-UHFFFAOYSA-M
EC Number
304-345-0
Exact Mass
300.13400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Sodium isooctyl phthalate?
The molecular formula of Sodium isooctyl phthalate is C16H21NaO4.
What is the molecular weight of Sodium isooctyl phthalate?
The molecular weight of Sodium isooctyl phthalate is 300.32 g/mol.
When was Sodium isooctyl phthalate created?
Sodium isooctyl phthalate was created on August 20, 2009.
What is the IUPAC Name of Sodium isooctyl phthalate?
The IUPAC Name of Sodium isooctyl phthalate is sodium;2-(6-methylheptoxycarbonyl)benzoate.
What is the Canonical SMILES of Sodium isooctyl phthalate?
The Canonical SMILES of Sodium isooctyl phthalate is CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Na+].
What is the CAS number of Sodium isooctyl phthalate?
The CAS number of Sodium isooctyl phthalate is 94248-71-2.
How many hydrogen bond acceptor counts does Sodium isooctyl phthalate have?
Sodium isooctyl phthalate has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of Sodium isooctyl phthalate?
The topological polar surface area of Sodium isooctyl phthalate is 66.4 Ų.
How many rotatable bond counts does Sodium isooctyl phthalate have?
Sodium isooctyl phthalate has 9 rotatable bond counts.
Is the compound canonicalized for Sodium isooctyl phthalate?
Yes, the compound is canonicalized for Sodium isooctyl phthalate according to PubChem.
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