CAS
93964-82-0 Purity
96%
93964-82-0 Purity
96%
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Octahydropentalenyl acetate
CAS
93964-85-3
Catalog Number
ACM93964853
Category
Other Products
Molecular Weight
168.232840 [g/mol]
Molecular Formula
C10H16O2
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Specification
Synonyms
Octahydropentalenyl acetate, EINECS 300-933-6, 93964-85-3
IUPAC Name
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl acetate
SMILES
CC(=O)OC1CCC2C1CCC2
InChI Key
IKLDZMFNXHKBOL-UHFFFAOYSA-N
Boiling Point
218.5ºC at 760mmHg
Flash Point
81ºC
Density
1.04g/cm³
EC Number
300-933-6
Exact Mass
168.11500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Octahydropentalenyl acetate?
The molecular formula of Octahydropentalenyl acetate is C10H16O2.
When was Octahydropentalenyl acetate created in PubChem?
Octahydropentalenyl acetate was created in PubChem on February 8, 2007.
What is the IUPAC name of Octahydropentalenyl acetate?
The IUPAC name of Octahydropentalenyl acetate is 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl acetate.
What is the Canonical SMILES of Octahydropentalenyl acetate?
The Canonical SMILES of Octahydropentalenyl acetate is CC(=O)OC1CCC2C1CCC2.
What is the molecular weight of Octahydropentalenyl acetate?
The molecular weight of Octahydropentalenyl acetate is 168.23 g/mol.
How many heavy atoms are present in Octahydropentalenyl acetate?
There are 12 heavy atoms present in Octahydropentalenyl acetate.
What is the XLogP3-AA value of Octahydropentalenyl acetate?
The XLogP3-AA value of Octahydropentalenyl acetate is 2.4.
Does Octahydropentalenyl acetate have any defined atom stereocenter count?
Octahydropentalenyl acetate does not have any defined atom stereocenter count.
What is the topological polar surface area of Octahydropentalenyl acetate?
The topological polar surface area of Octahydropentalenyl acetate is 26.3 Ų.
Is Octahydropentalenyl acetate a canonicalized compound in PubChem?
Yes, Octahydropentalenyl acetate is a canonicalized compound in PubChem.
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