CAS
760-23-6 Purity
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760-23-6 Purity
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![Hexasodium 2-[[4-(bis(2-hydroxyethyl)amino)-6-[[4-[(E)-2-[4-[[4-(bis(2-hydroxyethyl)amino)-6-[(2,5-disulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate](https://resource.alfa-chemistry.com/structure/76482-78-5.gif)
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1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester
CAS
76414-35-2
Catalog Number
ACM76414352
Category
Other Products
Molecular Weight
0
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Specification
Synonyms
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trioctyl ester;TRIOCTYL CITRATE
What is the molecular formula of 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
The molecular formula is C30H56O7.
What is the molecular weight of 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
The molecular weight is 528.8 g/mol.
What is the IUPAC name of 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
The IUPAC name is trioctyl 2-hydroxypropane-1,2,3-tricarboxylate.
What is the InChI of 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
The InChI is: InChI=1S/C30H56O7/c1-4-7-10-13-16-19-22-35-27(31)25-30(34,29(33)37-24-21-18-15-12-9-6-3)26-28(32)36-23-20-17-14-11-8-5-2/h34H,4-26H2,1-3H3.
What is the InChIKey of 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
The InChIKey is APVVRLGIFCYZHJ-UHFFFAOYSA-N.
What is the canonical SMILES of 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
The canonical SMILES is CCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC)(C(=O)OCCCCCCCC)O.
What is the CAS number of 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
The CAS number is 76414-35-2.
What is the XLogP3-AA value of 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
The XLogP3-AA value is 9.2.
How many hydrogen bond donor counts are there in 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
There is 1 hydrogen bond donor count.
How many rotatable bond counts are there in 1,2,3-Propanetricarboxylic acid,2-hydroxy-,trioctyl ester?
There are 29 rotatable bond counts.
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