CAS
93980-57-5 Purity
96%
93980-57-5 Purity
96%
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Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
CAS
93980-61-1
Catalog Number
ACM93980611
Category
Other Products
Molecular Weight
388.495640 [g/mol]
Molecular Formula
C20H36O7
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Specification
Synonyms
EINECS 301-039-9, Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate, 93980-61-1
IUPAC Name
2-hydroxy-2-(2-oxo-2-tetradecoxyethyl)butanedioic acid
Canonical SMILES
CCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O
InChI Key
AINUDUZWTSLGMN-UHFFFAOYSA-N
Boiling Point
543.3ºC at 760 mmHg
Flash Point
180.5ºC
Density
1.113g/cm³
EC Number
301-039-9
Exact Mass
388.24600
H-Bond Acceptor
7
H-Bond Donor
3
What is the molecular formula of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?
The molecular formula is C20H36O7.
When was Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate created and modified?
It was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC Name of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC Name is 2-hydroxy-2-(2-oxo-2-tetradecoxyethyl)butanedioic acid.
What is the InChI of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?
The InChI is InChI=1S/C20H36O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-18(23)16-20(26,19(24)25)15-17(21)22/h26H,2-16H2,1H3,(H,21,22)(H,24,25).
What is the Canonical SMILES of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?
The Canonical SMILES is CCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O.
What is the molecular weight of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?
The molecular weight is 388.5 g/mol.
How many hydrogen bond donor count does Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate have?
It has 3 hydrogen bond donor count.
What is the topological polar surface area of Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate?
The topological polar surface area is 121 Ų.
Does Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
Is Tetradecyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate canonicalized?
Yes, the compound is canonicalized.
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