CAS
94089-10-8 Purity
96%
94089-10-8 Purity
96%
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1,1-Dimethylpropyl phenoxyperoxyacetate
CAS
94089-14-2
Catalog Number
ACM94089142
Category
Other Products
Molecular Weight
238.279620 [g/mol]
Molecular Formula
C13H18O4
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Specification
Synonyms
1,1-Dimethylpropyl phenoxyperoxyacetate, 94089-14-2, CTK5H4931, EINECS 302-115-4, AG-H-86787
IUPAC Name
2-methylbutan-2-yl 2-phenoxyethaneperoxoate
Canonical SMILES
CCC(C)(C)OOC(=O)COC1=CC=CC=C1
InChI Key
PQACISFNSXHXIP-UHFFFAOYSA-N
Boiling Point
294.2ºC at 760mmHg
Flash Point
123.3ºC
Density
1.111g/cm³
EC Number
302-115-4
Exact Mass
238.12100
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 1,1-Dimethylpropyl phenoxyperoxyacetate?
The molecular formula is C13H18O4.
When was 1,1-Dimethylpropyl phenoxyperoxyacetate created in PubChem?
It was created on May 21, 2009.
What is the IUPAC Name of 1,1-Dimethylpropyl phenoxyperoxyacetate?
The IUPAC Name is 2-methylbutan-2-yl 2-phenoxyethaneperoxoate.
What is the molecular weight of 1,1-Dimethylpropyl phenoxyperoxyacetate?
The molecular weight is 238.28 g/mol.
What is the Canonical SMILES of 1,1-Dimethylpropyl phenoxyperoxyacetate?
The Canonical SMILES is CCC(C)(C)OOC(=O)COC1=CC=CC=C1.
What is the CAS number of 1,1-Dimethylpropyl phenoxyperoxyacetate?
The CAS number is 94089-14-2.
How many hydrogen bond acceptors does 1,1-Dimethylpropyl phenoxyperoxyacetate have?
It has 4 hydrogen bond acceptors.
What is the topological polar surface area of 1,1-Dimethylpropyl phenoxyperoxyacetate?
The topological polar surface area is 44.8 Ų.
How many rotatable bond counts does 1,1-Dimethylpropyl phenoxyperoxyacetate have?
It has 7 rotatable bonds.
Is 1,1-Dimethylpropyl phenoxyperoxyacetate a canonicalized compound?
Yes, it is canonicalized according to PubChem.
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