What is the molecular formula of 2-Ethynyltoluene?
The molecular formula of 2-Ethynyltoluene is C9H8.
What is the molecular weight of 2-Ethynyltoluene?
The molecular weight of 2-Ethynyltoluene is 116.16 g/mol.
What is the IUPAC name of 2-Ethynyltoluene?
The IUPAC name of 2-Ethynyltoluene is 1-ethynyl-2-methylbenzene.
What is the InChI of 2-Ethynyltoluene?
The InChI of 2-Ethynyltoluene is InChI=1S/C9H8/c1-3-9-7-5-4-6-8(9)2/h1,4-7H,2H3.
What is the InChIKey of 2-Ethynyltoluene?
The InChIKey of 2-Ethynyltoluene is MYBSUWNEMXUTAX-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Ethynyltoluene?
The canonical SMILES of 2-Ethynyltoluene is CC1=CC=CC=C1C#C.
What is the CAS number of 2-Ethynyltoluene?
The CAS number of 2-Ethynyltoluene is 766-47-2.
What is the XLogP3-AA value of 2-Ethynyltoluene?
The XLogP3-AA value of 2-Ethynyltoluene is 2.5.
How many rotatable bonds does 2-Ethynyltoluene have?
2-Ethynyltoluene has 1 rotatable bond.
Is 2-Ethynyltoluene a canonicalized compound?
Yes, 2-Ethynyltoluene is a canonicalized compound.