CAS
99886-31-4 Purity
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99886-31-4 Purity
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4-Methyl-1,5-heptadiene
CAS
998-94-7
Catalog Number
ACM998947
Category
Other Products
Molecular Weight
110.2
Molecular Formula
C8H14
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Specification
Synonyms
4-METHYL-1,5-HEPTADIENE;(5E)-4-Methyl-1,5-heptadiene
What is the molecular formula of the compound?
The molecular formula of the compound is C8H14.
What is the molecular weight of the compound?
The molecular weight of the compound is 110.20 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (5E)-4-methylhepta-1,5-diene.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4-5,7-8H,1,6H2,2-3H3/b7-5+.
What is the InChIKey of the compound?
The InChIKey of the compound is ITKKJSFRRSLPHX-FNORWQNLSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC=CC(C)CC=C.
What is the isomeric SMILES of the compound?
The isomeric SMILES of the compound is C/C=C/C(C)CC=C.
What is the CAS number of the compound?
The CAS number of the compound is 998-94-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.
Is the compound Canonicalized?
Yes, the compound is canonicalized.
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