CAS
94134-24-4 Purity
96%
94134-24-4 Purity
96%
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Bis[2-hydroxy-3-[4-(oxiranylmethoxy)butoxy]propyl]azelate
CAS
94134-29-9
Catalog Number
ACM94134299
Category
Other Products
Molecular Weight
592.715980 [g/mol]
Molecular Formula
C29H52O12
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Specification
Synonyms
EINECS 302-797-3, Bis(2-hydroxy-3-(4-(oxiranylmethoxy)butoxy)propyl) azelate, 94134-29-9
IUPAC Name
bis[2-hydroxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propyl] nonanedioate
SMILES
C1C(O1)COCCCCOCC(COC(=O)CCCCCCCC(=O)OCC(COCCCCOCC2CO2)O)O
InChI Key
KKPLFCFDTANTRW-UHFFFAOYSA-N
Boiling Point
679.8ºC at 760mmHg
Flash Point
208ºC
Density
1.162g/cm³
EC Number
302-797-3
Exact Mass
592.34600
H-Bond Acceptor
12
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 44145887?
The molecular formula is C29H52O12.
What is the molecular weight of the compound?
The molecular weight is 592.7 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is bis[2-hydroxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propyl] nonanedioate.
What is the InChI of the compound?
The InChI is InChI=1S/C29H52O12/c30-24(16-34-12-6-8-14-36-20-26-22-38-26)18-40-28(32)10-4-2-1-3-5-11-29(33)41-19-25(31)17-35-13-7-9-15-37-21-27-23-39-27/h24-27,30-31H,1-23H2.
What is the InChIKey of the compound?
The InChIKey is KKPLFCFDTANTRW-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1C(O1)COCCCCOCC(COC(=O)CCCCCCCC(=O)OCC(COCCCCOCC2CO2)O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 12 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 155 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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