CAS
96507-80-1 Purity
96%
96507-80-1 Purity
96%
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Isooctyl undecyl phthalate
CAS
96507-84-5
Catalog Number
ACM96507845
Category
Other Products
Molecular Weight
432.63586
Molecular Formula
C27H44O4
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Specification
Synonyms
Isooctyl undecyl phthalate, EINECS 306-163-7, 96507-84-5
IUPAC Name
2-O-(6-methylheptyl) 1-O-undecyl benzene-1,2-dicarboxylate
Canonical SMILES
CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C
InChI Key
ASYJIYUQBUFLPP-UHFFFAOYSA-N
EC Number
306-163-7
Exact Mass
432.32400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Isooctyl undecyl phthalate?
The molecular formula of Isooctyl undecyl phthalate is C27H44O4.
When was Isooctyl undecyl phthalate created?
Isooctyl undecyl phthalate was created on August 20, 2009.
What is the IUPAC Name of Isooctyl undecyl phthalate?
The IUPAC Name of Isooctyl undecyl phthalate is 2-O-(6-methylheptyl) 1-O-undecyl benzene-1,2-dicarboxylate.
What is the InChIKey for Isooctyl undecyl phthalate?
The InChIKey for Isooctyl undecyl phthalate is ASYJIYUQBUFLPP-UHFFFAOYSA-N.
What is the Canonical SMILES of Isooctyl undecyl phthalate?
The Canonical SMILES of Isooctyl undecyl phthalate is CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C.
What is the molecular weight of Isooctyl undecyl phthalate?
The molecular weight of Isooctyl undecyl phthalate is 432.6 g/mol.
How many heavy atoms are present in Isooctyl undecyl phthalate?
There are 31 heavy atoms present in Isooctyl undecyl phthalate.
Is Isooctyl undecyl phthalate canonicalized?
Yes, Isooctyl undecyl phthalate is canonicalized.
How many hydrogen bond acceptor counts does Isooctyl undecyl phthalate have?
Isooctyl undecyl phthalate has 4 hydrogen bond acceptor counts.
What is the XLogP3 value for Isooctyl undecyl phthalate?
The XLogP3 value for Isooctyl undecyl phthalate is 10.4.
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