CAS
91272-90-1 Purity
96%
91272-90-1 Purity
96%
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Non-8-ene-2,4-dione
CAS
91273-98-2
Catalog Number
ACM91273982
Category
Other Products
Molecular Weight
154.21
Molecular Formula
O=C(C)CC(=O)CCCC=C
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Specification
Synonyms
Non-8-ene-2,4-dione, 8-Nonene-2,4-dione, 91273-98-2, AGN-PC-006I6V, CTK3I1181, ZINC36533226, AG-H-74421, OR40488
IUPAC Name
non-8-ene-2,4-dione
Canonical SMILES
CC(=O)CC(=O)CCCC=C
InChI Key
VLUPHLVECZVUPY-UHFFFAOYSA-N
Boiling Point
228.7ºC at 760 mmHg
Flash Point
83ºC
Density
0.926g/cm³
Exact Mass
154.09900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Non-8-ene-2,4-dione according to the reference?
The molecular formula of Non-8-ene-2,4-dione is C9H14O2.
When was Non-8-ene-2,4-dione created and last modified?
Non-8-ene-2,4-dione was created on 2006-10-26 and last modified on 2023-12-30.
What is the InChIKey of Non-8-ene-2,4-dione?
The InChIKey of Non-8-ene-2,4-dione is VLUPHLVECZVUPY-UHFFFAOYSA-N.
How many hydrogen bond acceptors are present in Non-8-ene-2,4-dione?
There are 2 hydrogen bond acceptors present in Non-8-ene-2,4-dione.
What is the XLogP3-AA value of Non-8-ene-2,4-dione?
The XLogP3-AA value of Non-8-ene-2,4-dione is 1.2.
How many rotatable bonds are present in Non-8-ene-2,4-dione?
There are 6 rotatable bonds present in Non-8-ene-2,4-dione.
What is the topological polar surface area of Non-8-ene-2,4-dione?
The topological polar surface area of Non-8-ene-2,4-dione is 34.1 Å2.
Is Non-8-ene-2,4-dione a canonicalized compound?
Yes, Non-8-ene-2,4-dione is a canonicalized compound.
How many heavy atoms are present in the structure of Non-8-ene-2,4-dione?
There are 11 heavy atoms present in the structure of Non-8-ene-2,4-dione.
Does Non-8-ene-2,4-dione have any defined atom or bond stereocenters?
No, Non-8-ene-2,4-dione does not have any defined atom or bond stereocenters.
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