CAS
94703-33-0 Purity
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94703-33-0 Purity
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2-Benzofuranmethanol,2,3-dihydro-,2-(4-methylbenzenesulfonate)
CAS
94709-25-8
Catalog Number
ACM94709258
Category
Other Products
Molecular Weight
304.36
Molecular Formula
C16H16O4S
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Specification
Synonyms
2,3-DIHYDRO-1-BENZOFURAN-2-YLMETHYL 4-METHYLBENZENESULFONATE;2,3-DIHYDRO-1-BENZOFURAN-2-YLMETHYL 4-METHYLBENZENESULPHONATE;2,3-Dihydrobenzo[b]furan-2-ylmethyl 4-methylbenzenesulphonate;2,3-Dihydrobenzo[b]furan-2-ylmethyl 4-methylbenzenesulphonate 97%
IUPAC Name
2,3-dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate
InChI Key
JQUXYELOVDQVSW-UHFFFAOYSA-N
Boiling Point
465ºC at 760mmHg
Melting Point
71.5-73.5ºC
Flash Point
235ºC
Density
1.271g/cm³
Exact Mass
304.07700
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 2-Benzofuranmethanol, 2,3-dihydro-, 2-(4-methylbenzenesulfonate)?
The molecular formula is C16H16O4S.
What is the molecular weight of 2-Benzofuranmethanol, 2,3-dihydro-, 2-(4-methylbenzenesulfonate)?
The molecular weight is 304.4 g/mol.
When was the compound created and last modified in PubChem?
The compound was created on February 9, 2007, and last modified on December 30, 2023.
What is the IUPAC Name of 2-Benzofuranmethanol, 2,3-dihydro-, 2-(4-methylbenzenesulfonate)?
The IUPAC Name is 2,3-dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate.
What is the InChIKey of the compound?
The InChIKey is JQUXYELOVDQVSW-UHFFFAOYSA-N.
How many hydrogen bond acceptors are in the compound?
There are 4 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 61.2.
How many rotatable bond counts are in the compound?
There are 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.3.
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