CAS
93841-62-4 Purity
96%
93841-62-4 Purity
96%
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[2-Henicosyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl]methyl docosanoate
CAS
93841-70-4
Catalog Number
ACM93841704
Category
Other Products
Molecular Weight
748.256320 [g/mol]
Molecular Formula
C48H93NO4
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Specification
Synonyms
EINECS 299-041-7, CID3022625, (2-Henicosyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl)methyl docosanoate, 93841-70-4
IUPAC Name
[2-henicosyl-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methyl docosanoate
Canonical SMILES
CCCCCCCCCCCCCCCCCCCCCC1=NC(CO1)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI Key
MZMIGGKGVCIIDX-UHFFFAOYSA-N
Boiling Point
752ºC at 760mmHg
Flash Point
408.6ºC
Density
0.94g/cm³
EC Number
299-041-7
Exact Mass
747.71000
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C48H93NO4.
What is the molecular weight of the compound?
The molecular weight of the compound is 748.3 g/mol.
What are some synonyms for the compound?
Some synonyms for the compound include [2-Henicosyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl]methyl docosanoate.
When was the compound created and last modified?
The compound was created on August 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [2-henicosyl-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methyl docosanoate.
What is the InChI key of the compound?
The InChI key of the compound is MZMIGGKGVCIIDX-UHFFFAOYSA-N.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 5 hydrogen bond acceptor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 68.1 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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