CAS
93-09-4 Purity
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93-09-4 Purity
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cis-1,2,3,3a,4,6a-Hexahydropentalene
CAS
930-99-4
Catalog Number
ACM930994
Category
Other Products
Molecular Weight
108.1809
Molecular Formula
C8H12
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Specification
Synonyms
CIS-BICYCLO(3.3.0)-2-OCTENE;1,2,3,3a,4,6a-Hexahydropentalene;Pentalene, 1,2,3,3a,4,6a-hexahydro-, cis-;cis-1,2,3,3a,4,6a-hexahydropentalene;(3aS)-1,2,3,3aα,4,6aα-Hexahydropentalene;Einecs 213-228-2
IUPAC Name
1,2,3,3a,4,6a-hexahydropentalene
Canonical SMILES
C1CC2CC=CC2C1
InChI Key
KEHFJHPSOFFXBO-UHFFFAOYSA-N
Boiling Point
138.3ºC at 760 mmHg
Flash Point
18.5ºC
Density
0.93 g/cm³
EC Number
213-228-2
Exact Mass
108.09400
H-Bond Acceptor
0
H-Bond Donor
0
Packing Group
II
What is the molecular formula of cis-1,2,3,3a,4,6a-Hexahydropentalene?
The molecular formula is C8H12.
What are some synonyms for cis-1,2,3,3a,4,6a-Hexahydropentalene?
Some synonyms include 930-99-4, cis-Bicyclo[3.3.0]oct-2-ene, and AKOS006275636.
When was cis-1,2,3,3a,4,6a-Hexahydropentalene created and last modified?
It was created on February 15, 2007, and last modified on December 30, 2023.
What is the IUPAC name of cis-1,2,3,3a,4,6a-Hexahydropentalene?
The IUPAC name is (3aR,6aR)-1,2,3,3a,4,6a-hexahydropentalene.
What is the Canonical SMILES for cis-1,2,3,3a,4,6a-Hexahydropentalene?
The Canonical SMILES is C1CC2CC=CC2C1.
What is the InChIKey for cis-1,2,3,3a,4,6a-Hexahydropentalene?
The InChIKey is KEHFJHPSOFFXBO-SFYZADRCSA-N.
What is the molecular weight of cis-1,2,3,3a,4,6a-Hexahydropentalene?
The molecular weight is 108.18 g/mol.
What is the CAS number for cis-1,2,3,3a,4,6a-Hexahydropentalene?
The CAS number is 930-99-4.
How many hydrogen bond donor counts are there in cis-1,2,3,3a,4,6a-Hexahydropentalene?
There are 0 hydrogen bond donor counts.
Is cis-1,2,3,3a,4,6a-Hexahydropentalene a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound in PubChem.
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