CAS
937593-41-4 Purity
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937593-41-4 Purity
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6-Ethynyl-2-methoxy-1,2,3,4-tetrahydronaphthalene
CAS
937594-16-6
Catalog Number
ACM937594166
Category
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What is the molecular formula of the compound with PubChem CID 55275807?
The molecular formula is C13H14O.
What is the molecular weight of the compound?
The molecular weight is 186.25 g/mol.
When was the compound first created and last modified?
It was created on 2012-01-24 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 6-ethynyl-2-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the InChI for the compound?
The InChI is InChI=1S/C13H14O/c1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10/h1,4-5,8,13H,6-7,9H2,2H3.
What is the InChIKey for the compound?
The InChIKey is BENLSCRTPYNECZ-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is COC1CCC2=C(C1)C=CC(=C2)C#C.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.7.
How many hydrogen bond acceptors does the compound have?
The compound has 1 hydrogen bond acceptor.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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