CAS
93964-77-3 Purity
98%
93964-77-3 Purity
98%
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Octahydropentalenyl valerate
CAS
93964-82-0
Catalog Number
ACM93964820
Category
Other Products
Molecular Weight
210.312580 [g/mol]
Molecular Formula
C13H22O2
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Specification
Synonyms
Octahydropentalenyl valerate, EINECS 300-929-4, 93964-82-0
IUPAC Name
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl pentanoate
SMILES
CCCCC(=O)OC1CCC2C1CCC2
InChI Key
SXGFRANIZFQQGA-UHFFFAOYSA-N
Boiling Point
267.1ºC at 760mmHg
Flash Point
114.9ºC
Density
0.99g/cm³
EC Number
300-929-4
Exact Mass
210.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Octahydropentalenyl valerate?
The molecular formula of Octahydropentalenyl valerate is C13H22O2.
When was Octahydropentalenyl valerate first created in PubChem?
Octahydropentalenyl valerate was first created in PubChem on December 10, 2008.
What is the molecular weight of Octahydropentalenyl valerate?
The molecular weight of Octahydropentalenyl valerate is 210.31 g/mol.
What are some synonyms for Octahydropentalenyl valerate?
Some synonyms for Octahydropentalenyl valerate are Octahydropentalen-1-yl pentanoate and OCTAHYDROPENTALEN-1-YL PENTANOATE.
What is the IUPAC name of Octahydropentalenyl valerate?
The IUPAC name of Octahydropentalenyl valerate is 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl pentanoate.
What is the InChIKey of Octahydropentalenyl valerate?
The InChIKey of Octahydropentalenyl valerate is SXGFRANIZFQQGA-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Octahydropentalenyl valerate have?
Octahydropentalenyl valerate has 2 hydrogen bond acceptor counts.
What is the XLogP3-AA value of Octahydropentalenyl valerate?
The XLogP3-AA value of Octahydropentalenyl valerate is 3.8.
Is Octahydropentalenyl valerate a canonical compound?
Yes, Octahydropentalenyl valerate is a canonical compound.
How many rotatable bond counts does Octahydropentalenyl valerate have?
Octahydropentalenyl valerate has 5 rotatable bond counts.
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