CAS
94202-10-5 Purity
96%
94202-10-5 Purity
96%
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4-Methyl-2-(phenoxymethyl)-1,3-dioxane
CAS
94202-13-8
Catalog Number
ACM94202138
Category
Other Products
Molecular Weight
208.253640 [g/mol]
Molecular Formula
C12H16O3
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Specification
Synonyms
EINECS 303-705-4, CID11971334, 4-Methyl-2-(phenoxymethyl)-1,3-dioxane, 94202-13-8
IUPAC Name
4-methyl-2-(phenoxymethyl)-1,3-dioxane
Canonical SMILES
CC1CCOC(O1)COC2=CC=CC=C2
InChI Key
ACCCAQVFLWDUTB-UHFFFAOYSA-N
Boiling Point
301.7ºC at 760mmHg
Flash Point
100.5ºC
Density
1.051g/cm³
EC Number
303-705-4
Exact Mass
208.11000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 4-Methyl-2-(phenoxymethyl)-1,3-dioxane?
The molecular formula is C12H16O3.
When was the PubChem CID for this compound created and modified?
The PubChem CID was created on 2006-12-27 and modified on 2023-12-30.
What is the IUPAC name of 4-Methyl-2-(phenoxymethyl)-1,3-dioxane?
The IUPAC name is 4-methyl-2-(phenoxymethyl)-1,3-dioxane.
What is the InChIKey of 4-Methyl-2-(phenoxymethyl)-1,3-dioxane?
The InChIKey is ACCCAQVFLWDUTB-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 4-Methyl-2-(phenoxymethyl)-1,3-dioxane?
The Canonical SMILES is CC1CCOC(O1)COC2=CC=CC=C2.
What is the molecular weight of 4-Methyl-2-(phenoxymethyl)-1,3-dioxane?
The molecular weight is 208.25 g/mol.
How many hydrogen bond donor counts does 4-Methyl-2-(phenoxymethyl)-1,3-dioxane have?
It has 0 hydrogen bond donor counts.
What is the Rotatable Bond Count of 4-Methyl-2-(phenoxymethyl)-1,3-dioxane?
It has 3 rotatable bond counts.
What is the topological polar surface area of 4-Methyl-2-(phenoxymethyl)-1,3-dioxane?
The topological polar surface area is 27.7 Å2.
Is 4-Methyl-2-(phenoxymethyl)-1,3-dioxane a canonicalized compound?
Yes, the compound is canonicalized.
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