9-Ethynylphenanthrene

• Catalog Number: ACM32870987
• Product Name: 9-Ethynylphenanthrene
• CAS: 32870-98-7
• Category: Alkynes
• IUPAC Name: 9-ethynylphenanthrene
• Molecular Weight: 202.26
• Molecular Formula: C16H10
• Canonical SMILES: C#CC1=CC2=CC=CC=C2C3=CC=CC=C31
• InChI: InChI=1S/C16H10/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h1,3-11H
• InChI Key: FMKVRRYQWWPOAL-UHFFFAOYSA-N
• Melting Point: 63 °C
• Appearance: White to Orange to Green powder to crystal
• Complexity: 294
• Covalently-Bonded Unit Count: 1
• Exact Mass: 202.07825g/mol
• Formal Charge: 0
• Hazard Statements: H413 : May cause long lasting harmful effects to aquatic life.
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 16
• MDL Number: MFCD05664210
• Monoisotopic Mass: 202.07825g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
• RIDADR: UN 3077 9 / PGIII
• Rotatable Bond Count: 1
• Symbol: GHS07
• XLogP3: 4.7

Custom Q&A

What is the molecular formula of 9-Ethynylphenanthrene?

The molecular formula of 9-Ethynylphenanthrene is C16H10.

What is the molecular weight of 9-Ethynylphenanthrene?

The molecular weight of 9-Ethynylphenanthrene is 202.25 g/mol.

What is the IUPAC name of 9-Ethynylphenanthrene?

The IUPAC name of 9-Ethynylphenanthrene is 9-ethynylphenanthrene.

What is the InChI of 9-Ethynylphenanthrene?

The InChI of 9-Ethynylphenanthrene is InChI=1S/C16H10/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h1,3-11H.

What is the InChIKey of 9-Ethynylphenanthrene?

The InChIKey of 9-Ethynylphenanthrene is FMKVRRYQWWPOAL-UHFFFAOYSA-N.

What is the canonical SMILES of 9-Ethynylphenanthrene?

The canonical SMILES of 9-Ethynylphenanthrene is C#CC1=CC2=CC=CC=C2C3=CC=CC=C31.

What is the CAS number of 9-Ethynylphenanthrene?

The CAS number of 9-Ethynylphenanthrene is 32870-98-7.

What is the ChEMBL ID of 9-Ethynylphenanthrene?

The ChEMBL ID of 9-Ethynylphenanthrene is CHEMBL1908227.

What is the XLogP3-AA value of 9-Ethynylphenanthrene?

The XLogP3-AA value of 9-Ethynylphenanthrene is 4.7.

Is 9-Ethynylphenanthrene a canonicalized compound?

Yes, 9-Ethynylphenanthrene is a canonicalized compound.