CAS
94160-28-8 Purity
96%
94160-28-8 Purity
96%
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8-(2-Hydroxypropoxy)-1,4,12-trimethyl-14-oxo-3,6,10,13-tetraoxahexadec-15-en-1-yl acrylate
CAS
94160-33-5
Catalog Number
ACM94160335
Category
Other Products
Molecular Weight
432.505140 [g/mol]
Molecular Formula
C21H36O9
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Specification
Synonyms
EINECS 303-317-5, 8-(2-Hydroxypropoxy)-1,4,12-trimethyl-14-oxo-3,6,10,13-tetraoxahexadec-15-en-1-yl acrylate, 94160-33-5
IUPAC Name
1-[2-(2-hydroxypropoxy)-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate
SMILES
CC(COC(COCC(C)OCC(C)OC(=O)C=C)COCC(C)OC(=O)C=C)O
InChI Key
PGVXYNCLNDQXPL-UHFFFAOYSA-N
Boiling Point
503.6ºC at 760 mmHg
Flash Point
159.8ºC
Density
1.088g/cm³
EC Number
303-317-5
Exact Mass
432.23600
H-Bond Acceptor
9
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C21H36O9.
What are some synonyms of the compound?
Some synonyms of the compound are 94160-33-5, EINECS 303-317-5, and DTXSID70916220.
What is the molecular weight of the compound?
The molecular weight of the compound is 432.5 g/mol.
When was the compound created and last modified?
The compound was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-[2-(2-hydroxypropoxy)-3-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propan-2-yl prop-2-enoate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C21H36O9/c1-7-20(23)29-17(5)11-26-14-19(28-9-15(3)22)13-25-10-16(4)27-12-18(6)30-21(24)8-2/h7-8,15-19,22H,1-2,9-14H2,3-6H3.
What is the InChIKey of the compound?
The InChIKey of the compound is PGVXYNCLNDQXPL-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC(COC(COCC(C)OCC(C)OC(=O)C=C)COCC(C)OC(=O)C=C)O.
How many hydrogen bond acceptors does the compound have?
The compound has 9 hydrogen bond acceptors.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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