CAS
98519-30-3 Purity
96%
98519-30-3 Purity
96%
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trans-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole
CAS
98519-33-6
Catalog Number
ACM98519336
Category
Other Products
Molecular Weight
341.404220 [g/mol]
Molecular Formula
C19H23N3O3
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Specification
Synonyms
CID3062608, LS-155810, LS-155811, 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, cis-, cis-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole, cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5-methyl-5-propyl-1,3-dioxan, trans-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole, trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5-methyl-5-propyl-1,3-dioxan, 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, trans-, 98519-33-6, 98532-79-7
IUPAC Name
1-[[2-(1-benzofuran-2-yl)-5-methyl-5-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
InChI Key
ITACZRXGTMPYNT-UHFFFAOYSA-N
Boiling Point
496.1ºC at 760mmHg
Flash Point
253.8ºC
Density
1.25g/cm³
Exact Mass
341.17400
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C19H23N3O3.
When was the compound created?
The compound was created on August 9, 2005.
What are synonyms for the compound?
Some synonyms for the compound include 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, trans- and trans-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole.
What is the molecular weight of the compound?
The molecular weight of the compound is 341.4 g/mol.
What is the InChIKey of the compound?
The InChIKey of the compound is ITACZRXGTMPYNT-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.4.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 62.3 Ų.
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