CAS
91965-06-9 Purity
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91965-06-9 Purity
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4-(1,3-Dioxolan-2-ylmethyl)anisole
CAS
91970-78-4
Catalog Number
ACM91970784
Category
Other Products
Molecular Weight
194.23
Molecular Formula
C11H14O3
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Specification
Synonyms
4-(1,3-DIOXOLAN-2-YLMETHYL)-1-METHOXYBENZENE;4-(1,3-DIOXOLAN-2-YLMETHYL)ANISOLE
IUPAC Name
2-[(4-methoxyphenyl)methyl]-1,3-dioxolane
SMILES
COC1=CC=C(C=C1)CC2OCCO2
InChI Key
HSXOHAGKZCZSSL-UHFFFAOYSA-N
Boiling Point
291.7ºC at 760 mmHg
Flash Point
96.9ºC
Density
1.122g/cm³
Exact Mass
194.09400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound 4-(1,3-Dioxolan-2-ylmethyl)anisole?
The molecular formula is C11H14O3.
When was the compound created and last modified according to PubChem?
The compound was created on 2005-07-19 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 2-[(4-methoxyphenyl)methyl]-1,3-dioxolane.
What is the InChIKey of the compound?
The InChIKey is HSXOHAGKZCZSSL-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is COC1=CC=C(C=C1)CC2OCCO2.
What is the molecular weight of the compound?
The molecular weight is 194.23 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 27.7Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity value of the compound?
The complexity value is 158.
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