CAS
93964-74-0 Purity
96%
93964-74-0 Purity
96%
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Octahydropentalenyl propionate
CAS
93964-80-8
Catalog Number
ACM93964808
Category
Other Products
Molecular Weight
182.259420 [g/mol]
Molecular Formula
C11H18O2
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Specification
Synonyms
Octahydropentalenyl propionate, EINECS 300-927-3, 93964-80-8
IUPAC Name
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl propanoate
Canonical SMILES
CCC(=O)OC1CCC2C1CCC2
InChI Key
BTWFKGTZSZVEEX-UHFFFAOYSA-N
Boiling Point
235.1ºC at 760mmHg
Flash Point
92.5ºC
Density
1.02g/cm³
EC Number
300-927-3
Exact Mass
182.13100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Octahydropentalenyl propionate?
The molecular formula of Octahydropentalenyl propionate is C11H18O2.
When was Octahydropentalenyl propionate created in PubChem?
Octahydropentalenyl propionate was created in PubChem on December 10, 2008.
What is the InChIKey of Octahydropentalenyl propionate?
The InChIKey of Octahydropentalenyl propionate is BTWFKGTZSZVEEX-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Octahydropentalenyl propionate have?
Octahydropentalenyl propionate has 2 hydrogen bond acceptors.
What is the exact mass of Octahydropentalenyl propionate?
The exact mass of Octahydropentalenyl propionate is 182.130679813 g/mol.
How many rotatable bond counts does Octahydropentalenyl propionate have?
Octahydropentalenyl propionate has 3 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the molecular weight of Octahydropentalenyl propionate?
The molecular weight of Octahydropentalenyl propionate is 182.26 g/mol.
Does Octahydropentalenyl propionate have any defined atom stereocenter count?
No, Octahydropentalenyl propionate does not have any defined atom stereocenter count.
What is the topological polar surface area of Octahydropentalenyl propionate?
The topological polar surface area of Octahydropentalenyl propionate is 26.3 Å2.
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