CAS
925689-54-9 Purity
96%
925689-54-9 Purity
96%
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6-Methyloctan-2-one
CAS
925-69-9
Catalog Number
ACM925699
Category
Other Products
Molecular Weight
142.238620 [g/mol]
Molecular Formula
C9H18O
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Specification
Synonyms
6-methyl-2-octanone, 6-Methyloctan-2-one, EINECS 213-121-0, CID102516, 925-69-9
IUPAC Name
6-methyloctan-2-one
Canonical SMILES
CCC(C)CCCC(=O)C
InChI Key
FYYTUZVGGBLDOP-UHFFFAOYSA-N
Boiling Point
180ºC at 760mmHg
Flash Point
57.6ºC
Density
0.814g/cm³
EC Number
213-121-0
Exact Mass
142.13600
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 6-Methyloctan-2-one?
The molecular formula of 6-Methyloctan-2-one is C9H18O.
What is the IUPAC name of 6-Methyloctan-2-one?
The IUPAC name of 6-Methyloctan-2-one is 6-methyloctan-2-one.
What is the InChI of 6-Methyloctan-2-one?
The InChI of 6-Methyloctan-2-one is InChI=1S/C9H18O/c1-4-8(2)6-5-7-9(3)10/h8H,4-7H2,1-3H3.
How many hydrogen bond donor counts are there in 6-Methyloctan-2-one?
There are 0 hydrogen bond donor counts in 6-Methyloctan-2-one.
What is the exact mass of 6-Methyloctan-2-one?
The exact mass of 6-Methyloctan-2-one is 142.135765193 g/mol.
How many rotatable bond counts are there in 6-Methyloctan-2-one?
There are 5 rotatable bond counts in 6-Methyloctan-2-one.
Is 6-Methyloctan-2-one considered a canonicalized compound?
Yes, 6-Methyloctan-2-one is considered a canonicalized compound.
What is the topological polar surface area of 6-Methyloctan-2-one?
The topological polar surface area of 6-Methyloctan-2-one is 17.1 Ų.
How many defined atom stereocenter counts are there in 6-Methyloctan-2-one?
There are 0 defined atom stereocenter counts in 6-Methyloctan-2-one.
What is the molecular weight of 6-Methyloctan-2-one?
The molecular weight of 6-Methyloctan-2-one is 142.24 g/mol.
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