CAS
93964-80-8 Purity
96%
93964-80-8 Purity
96%
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Octahydropentalenyl 3-methylbutyrate
CAS
93964-83-1
Catalog Number
ACM93964831
Category
Other Products
Molecular Weight
210.312580 [g/mol]
Molecular Formula
C13H22O2
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Specification
Synonyms
Octahydropentalenyl 3-methylbutyrate, EINECS 300-931-5, 93964-83-1
IUPAC Name
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl 3-methylbutanoate
SMILES
CC(C)CC(=O)OC1CCC2C1CCC2
InChI Key
NRSRDHUBEUUTHZ-UHFFFAOYSA-N
Boiling Point
255.9ºC at 760mmHg
Flash Point
109.1ºC
Density
0.99g/cm³
EC Number
300-931-5
Exact Mass
210.16200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Octahydropentalenyl 3-methylbutyrate?
The molecular formula is C13H22O2.
When was Octahydropentalenyl 3-methylbutyrate created in PubChem?
It was created on November 5, 2007.
What is the molecular weight of Octahydropentalenyl 3-methylbutyrate?
The molecular weight is 210.31 g/mol.
How many hydrogen bond acceptors does Octahydropentalenyl 3-methylbutyrate have?
It has 2 hydrogen bond acceptors.
What is the exact mass of Octahydropentalenyl 3-methylbutyrate?
The exact mass is 210.161979940 g/mol.
How many rotatable bonds does Octahydropentalenyl 3-methylbutyrate have?
It has 4 rotatable bonds.
Is Octahydropentalenyl 3-methylbutyrate a canonical compound in PubChem?
Yes, it is a canonical compound.
What is the XLogP3-AA value of Octahydropentalenyl 3-methylbutyrate?
The XLogP3-AA value is 3.7.
How many defined atom stereocenters does Octahydropentalenyl 3-methylbutyrate have?
It has 0 defined atom stereocenters.
What is the topological polar surface area of Octahydropentalenyl 3-methylbutyrate?
The topological polar surface area is 26.3 Å2.
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