CAS
93964-76-2 Purity
96%
93964-76-2 Purity
96%
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Octahydropentalenyl isobutyrate
CAS
93964-81-9
Catalog Number
ACM93964819
Category
Other Products
Molecular Weight
196.286000 [g/mol]
Molecular Formula
C12H20O2
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Specification
Synonyms
Octahydropentalenyl isobutyrate, EINECS 300-928-9, 93964-81-9
IUPAC Name
1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl 2-methylpropanoate
Canonical SMILES
CC(C)C(=O)OC1CCC2C1CCC2
InChI Key
GSLWKPBSLJVOJM-UHFFFAOYSA-N
Boiling Point
239.5ºC at 760mmHg
Flash Point
97.7ºC
Density
1g/cm³
EC Number
300-928-9
Exact Mass
196.14600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Octahydropentalenyl isobutyrate?
The molecular formula is C12H20O2.
What are the synonyms for Octahydropentalenyl isobutyrate?
The synonyms are Octahydropentalenyl isobutyrate, 93964-81-9, EINECS 300-928-9, DTXSID70916821, and OCTAHYDROPENTALEN-1-YL 2-METHYLPROPANOATE.
What is the molecular weight of Octahydropentalenyl isobutyrate?
The molecular weight is 196.29 g/mol.
What is the IUPAC name of Octahydropentalenyl isobutyrate?
The IUPAC name is 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl 2-methylpropanoate.
What is the InChI of Octahydropentalenyl isobutyrate?
The InChI is InChI=1S/C12H20O2/c1-8(2)12(13)14-11-7-6-9-4-3-5-10(9)11/h8-11H,3-7H2,1-2H3.
What is the InChIKey of Octahydropentalenyl isobutyrate?
The InChIKey is GSLWKPBSLJVOJM-UHFFFAOYSA-N.
What is the canonical SMILES representation of Octahydropentalenyl isobutyrate?
The canonical SMILES representation is CC(C)C(=O)OC1CCC2C1CCC2.
What is the CAS number of Octahydropentalenyl isobutyrate?
The CAS number is 93964-81-9.
How many hydrogen bond acceptors are present in Octahydropentalenyl isobutyrate?
There are 2 hydrogen bond acceptors.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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