CAS
94201-50-0 Purity
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94201-50-0 Purity
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2,2-Bis-(hydroxymethyl)butyl docosanoate
CAS
94201-60-2
Catalog Number
ACM94201602
Category
Other Products
Molecular Weight
456.741840 [g/mol]
Molecular Formula
C28H56O4
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Specification
Synonyms
EINECS 303-648-5, CID3023996, 2,2-Bis(hydroxymethyl)butyl docosanoate, 94201-60-2
IUPAC Name
2,2-bis(hydroxymethyl)butyl docosanoate
Canonical SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO
InChI Key
YCUULKHNJZXLCO-UHFFFAOYSA-N
Boiling Point
531.8ºC at 760 mmHg
Flash Point
156ºC
Density
0.933g/cm³
EC Number
303-648-5
Exact Mass
456.41800
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 2,2-Bis-(hydroxymethyl)butyl docosanoate?
The molecular formula of 2,2-Bis-(hydroxymethyl)butyl docosanoate is C28H56O4.
When was 2,2-Bis-(hydroxymethyl)butyl docosanoate created according to PubChem?
2,2-Bis-(hydroxymethyl)butyl docosanoate was created on August 8, 2005.
What is the molecular weight of 2,2-Bis-(hydroxymethyl)butyl docosanoate?
The molecular weight of 2,2-Bis-(hydroxymethyl)butyl docosanoate is 456.7 g/mol.
What is the InChIKey of 2,2-Bis-(hydroxymethyl)butyl docosanoate?
The InChIKey of 2,2-Bis-(hydroxymethyl)butyl docosanoate is YCUULKHNJZXLCO-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 2,2-Bis-(hydroxymethyl)butyl docosanoate?
There are 2 hydrogen bond donor counts in 2,2-Bis-(hydroxymethyl)butyl docosanoate.
What is the XLogP3-AA value of 2,2-Bis-(hydroxymethyl)butyl docosanoate?
The XLogP3-AA value of 2,2-Bis-(hydroxymethyl)butyl docosanoate is 10.3.
What is the UNII of 2,2-Bis-(hydroxymethyl)butyl docosanoate?
The UNII of 2,2-Bis-(hydroxymethyl)butyl docosanoate is K6U9U77BLX.
How many rotatable bond counts are there in 2,2-Bis-(hydroxymethyl)butyl docosanoate?
There are 26 rotatable bond counts in 2,2-Bis-(hydroxymethyl)butyl docosanoate.
Is 2,2-Bis-(hydroxymethyl)butyl docosanoate a canonicalized compound according to PubChem?
Yes, 2,2-Bis-(hydroxymethyl)butyl docosanoate is a canonicalized compound according to PubChem.
What is the topological polar surface area of 2,2-Bis-(hydroxymethyl)butyl docosanoate?
The topological polar surface area of 2,2-Bis-(hydroxymethyl)butyl docosanoate is 66.8 Ų.
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