CAS
93941-93-6 Purity
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93941-93-6 Purity
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3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene
CAS
93942-00-8
Catalog Number
ACM93942008
Category
Other Products
Molecular Weight
192.29700
Molecular Formula
C13H20O
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Specification
Synonyms
3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene; 4,7-Methano-1H-indene,3a,4,5,6,7,7a-hexahydromethoxydimethyl;
IUPAC Name
EINECS 300-549-9
Boiling Point
249.1ºC at 760mmHg
Flash Point
98.1ºC
Density
1.01g/cm³
Exact Mass
192.15100
What is the molecular formula of 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene?
The molecular formula is C13H20O.
What is the molecular weight of 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene?
The molecular weight is 192.30 g/mol.
What is the IUPAC name of 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene?
The IUPAC name is 3-methoxy-4,5-dimethyltricyclo[5.2.1.0 2,6 ]dec-3-ene.
What is the InChI of 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene?
The InChI is InChI=1S/C13H20O/c1-7-8(2)13(14-3)12-10-5-4-9(6-10)11(7)12/h7,9-12H,4-6H2,1-3H3.
What is the InChIKey of 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene?
The InChIKey is VOJLZMSJAQIWCN-UHFFFAOYSA-N.
What is the Canonical SMILES of 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene?
The Canonical SMILES is CC1C2C3CCC(C3)C2C(=C1C)OC.
How many hydrogen bond donor counts are in 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene?
There are 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene?
The XLogP3-AA value is 3.1.
How many rotatable bond counts are in 3a,4,5,6,7,7a-Hexahydromethoxydimethyl-4,7-methano-1H-indene?
There is 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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