CAS
94231-91-1 Purity
96%
94231-91-1 Purity
96%
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2-Methyldodecane-4,6-dione
CAS
94231-93-3
Catalog Number
ACM94231933
Category
Other Products
Molecular Weight
212.328460 [g/mol]
Molecular Formula
C13H24O2
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Specification
Synonyms
2-Methyldodecane-4,6-dione, EINECS 303-916-1, CID3024079, 94231-93-3
IUPAC Name
2-methyldodecane-4,6-dione
Canonical SMILES
CCCCCCC(=O)CC(=O)CC(C)C
InChI Key
PHVJAYGOLQGSCN-UHFFFAOYSA-N
Boiling Point
292.7ºC at 760 mmHg
Flash Point
109.1ºC
Density
0.893g/cm³
EC Number
303-916-1
Exact Mass
212.17800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Methyldodecane-4,6-dione?
The molecular formula of 2-Methyldodecane-4,6-dione is C13H24O2.
When was the compound created according to PubChem?
The compound was created on August 8, 2005.
What is the InChIKey of 2-Methyldodecane-4,6-dione?
The InChIKey of 2-Methyldodecane-4,6-dione is PHVJAYGOLQGSCN-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
What is the exact mass of 2-Methyldodecane-4,6-dione?
The exact mass of 2-Methyldodecane-4,6-dione is 212.177630004 g/mol.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
What is the topological polar surface area of 2-Methyldodecane-4,6-dione?
The topological polar surface area is 34.1 Å2.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
How many heavy atoms are present in 2-Methyldodecane-4,6-dione?
There are 15 heavy atoms present in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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