CAS
937621-11-9 Purity
96%
937621-11-9 Purity
96%
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Sodium isobutyl phthalate
CAS
93762-14-2
Catalog Number
ACM93762142
Category
Other Products
Molecular Weight
244.219
Molecular Formula
C12H14O4Na
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Specification
Synonyms
Sodium isobutyl phthalate, EINECS 297-728-6, CID3022206, 93762-14-2
IUPAC Name
sodium 2-(2-methylpropoxycarbonyl)benzoate
Canonical SMILES
CC(C)COC(=O)C1=CC=CC=C1C(=O)[O-].[Na+]
InChI Key
REWQYEQHPFDJHO-UHFFFAOYSA-M
Boiling Point
356.6ºC at 760mmHg
Flash Point
135ºC
Density
g/cm³
EC Number
297-728-6
Exact Mass
244.07100
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Sodium isobutyl phthalate?
The molecular formula of Sodium isobutyl phthalate is C12H13NaO4.
What is the molecular weight of Sodium isobutyl phthalate?
The molecular weight of Sodium isobutyl phthalate is 244.22 g/mol.
What are the synonyms for Sodium isobutyl phthalate?
The synonyms for Sodium isobutyl phthalate are 93762-14-2, EINECS 297-728-6, and DTXSID80239573.
What is the IUPAC name of Sodium isobutyl phthalate?
The IUPAC name of Sodium isobutyl phthalate is sodium; 2-(2-methylpropoxycarbonyl)benzoate.
What is the Canonical SMILES representation of Sodium isobutyl phthalate?
The Canonical SMILES representation of Sodium isobutyl phthalate is CC(C)COC(=O)C1=CC=CC=C1C(=O)[O-].[Na+].
What is the InChIKey of Sodium isobutyl phthalate?
The InChIKey of Sodium isobutyl phthalate is REWQYEQHPFDJHO-UHFFFAOYSA-M.
What is the CAS number of Sodium isobutyl phthalate?
The CAS number of Sodium isobutyl phthalate is 93762-14-2.
How many hydrogen bond donor counts does Sodium isobutyl phthalate have?
Sodium isobutyl phthalate has 0 hydrogen bond donor counts.
What is the topological polar surface area of Sodium isobutyl phthalate?
The topological polar surface area of Sodium isobutyl phthalate is 66.4 Ų.
Is Sodium isobutyl phthalate considered a canonicalized compound?
Yes, Sodium isobutyl phthalate is considered a canonicalized compound according to PubChem.
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