CAS
92071-51-7 Purity
96%
92071-51-7 Purity
96%
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1-Methoxy-1,3,5,7,9-undecapentaene
CAS
92071-99-3
Catalog Number
ACM92071993
Category
Other Products
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What is the molecular formula of 1-Methoxy-1,3,5,7,9-undecapentaene?
The molecular formula is C12H16O.
What is the molecular weight of 1-Methoxy-1,3,5,7,9-undecapentaene?
The molecular weight is 176.25 g/mol.
What is the IUPAC name of 1-Methoxy-1,3,5,7,9-undecapentaene?
The IUPAC name is (1E,3E,5E,7E,9E)-1-methoxyundeca-1,3,5,7,9-pentaene.
What is the InChI of 1-Methoxy-1,3,5,7,9-undecapentaene?
The InChI is InChI=1S/C12H16O/c1-3-4-5-6-7-8-9-10-11-12-13-2/h3-12H,1-2H3/b4-3+,6-5+,8-7+,10-9+,12-11+.
What is the InChIKey of 1-Methoxy-1,3,5,7,9-undecapentaene?
The InChIKey is WQCRPVAGCYBZEI-STAPSFGWSA-N.
What is the canonical SMILES of 1-Methoxy-1,3,5,7,9-undecapentaene?
The canonical SMILES is CC=CC=CC=CC=CC=COC.
What is the isomeric SMILES of 1-Methoxy-1,3,5,7,9-undecapentaene?
The isomeric SMILES is C/C=C/C=C/C=C/C=C/OC.
What is the XLogP3-AA value of 1-Methoxy-1,3,5,7,9-undecapentaene?
The XLogP3-AA value is 3.6.
How many rotatable bond counts does 1-Methoxy-1,3,5,7,9-undecapentaene have?
1-Methoxy-1,3,5,7,9-undecapentaene has 5 rotatable bond counts.
Is 1-Methoxy-1,3,5,7,9-undecapentaene a canonicalized compound?
Yes, 1-Methoxy-1,3,5,7,9-undecapentaene is a canonicalized compound.
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