CAS
95469-31-1 Purity
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95469-31-1 Purity
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(E)-6-(2,6,6-Trimethylcyclohex-2-en-1-yl)hex-5-ene-2,4-dione
CAS
95470-29-4
Catalog Number
ACM95470294
Category
Other Products
Molecular Weight
234.333980 [g/mol]
Molecular Formula
C15H22O2
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Specification
Synonyms
EINECS 306-015-1, CID6366564, (E)-6-(2,6,6-Trimethylcyclohex-2-en-1-yl)hex-5-ene-2,4-dione, 95470-29-4
IUPAC Name
(E)-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-5-ene-2,4-dione
InChI Key
MDWSMUFPCWONGB-BQYQJAHWSA-N
Boiling Point
326.9ºC at 760mmHg
Flash Point
122.5ºC
Density
0.993g/cm³
Exact Mass
234.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 6366564?
The molecular formula is C15H22O2.
What is the molecular weight of the compound?
The molecular weight is 234.33 g/mol.
When was the compound created and last modified in PubChem?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is (E)-6-(2,6-trimethylcyclohex-2-en-1-yl)hex-5-ene-2,4-dione.
What is the InChI key of the compound?
The InChI key is MDWSMUFPCWONGB-BQYQJAHWSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 2 hydrogen bond acceptors.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.8.
How many rotatable bonds does the compound have?
The compound has 4 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area is 34.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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