CAS
94134-66-4 Purity
96%
94134-66-4 Purity
96%
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3-Heptylidenepentane-2,4-dione
CAS
94134-76-6
Catalog Number
ACM94134766
Category
Other Products
Molecular Weight
196.286000 [g/mol]
Molecular Formula
C12H20O2
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Specification
Synonyms
3-Heptylidenepentane-2,4-dione, EINECS 302-845-3, CID3023691, 94134-76-6
IUPAC Name
3-heptylidenepentane-2,4-dione
SMILES
CCCCCCC=C(C(=O)C)C(=O)C
InChI Key
IKWSCVCGBUEZJD-UHFFFAOYSA-N
Boiling Point
326.6ºC at 760mmHg
Flash Point
122.4ºC
Density
0.916g/cm³
EC Number
302-845-3
Exact Mass
196.14600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Heptylidenepentane-2,4-dione?
The molecular formula of 3-Heptylidenepentane-2,4-dione is C12H20O2.
When was 3-Heptylidenepentane-2,4-dione created and modified in PubChem?
3-Heptylidenepentane-2,4-dione was created on 2005-08-08 and modified on 2023-12-30 in PubChem.
What is the molecular weight of 3-Heptylidenepentane-2,4-dione?
The molecular weight of 3-Heptylidenepentane-2,4-dione is 196.29 g/mol.
What are some synonyms for 3-Heptylidenepentane-2,4-dione?
Some synonyms for 3-Heptylidenepentane-2,4-dione are 94134-76-6, EINECS 302-845-3, and 3-Heptylidene-2,4-pentanedione.
What is the InChIKey for 3-Heptylidenepentane-2,4-dione?
The InChIKey for 3-Heptylidenepentane-2,4-dione is IKWSCVCGBUEZJD-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in 3-Heptylidenepentane-2,4-dione?
There are 2 hydrogen bond acceptors in 3-Heptylidenepentane-2,4-dione.
What is the XLogP3-AA value for 3-Heptylidenepentane-2,4-dione?
The XLogP3-AA value for 3-Heptylidenepentane-2,4-dione is 3.3.
How many rotatable bonds are there in 3-Heptylidenepentane-2,4-dione?
There are 7 rotatable bonds in 3-Heptylidenepentane-2,4-dione.
What is the formal charge of 3-Heptylidenepentane-2,4-dione?
The formal charge of 3-Heptylidenepentane-2,4-dione is 0.
Is the compound of 3-Heptylidenepentane-2,4-dione canonicalized?
Yes, the compound of 3-Heptylidenepentane-2,4-dione is canonicalized in PubChem.
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