3-Methyl-1-phenyl-2-phospholene 1-oxide

• Catalog Number: ACM707619-1
• Product Name: 3-Methyl-1-phenyl-2-phospholene 1-oxide
• CAS: 707-61-9
• Category: Heterocyclic Organic Compound
• Synonyms: 2,3-Dihydro-4-methyl-1-phenylphosphole 1-oxide; 1-Oxo-3-methyl-1-phenyl-2-phospholene; MPPO
• IUPAC Name: 4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide
• Molecular Weight: 192.19
• Molecular Formula: C11H13OP
• Canonical SMILES: CC1=CP(=O)(CC1)C2=CC=CC=C2
• InChI: YMKWWHFRGALXLE-UHFFFAOYSA-N
• InChI Key: InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
• Boiling Point: 150 °C at 0.15 mmHg(lit.)
• Melting Point: 58-62 °C
• Flash Point: >230 °F
• Density: 1.11±0.1 g/cm3(Predicted)
• Appearance: Solid
• Complexity: 261
• Covalently-Bonded Unit Count: 1
• EC Number: 211-901-5
• Exact Mass: 192.07g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 13
• Isomeric SMILES: CC1=CP(=O)(CC1)C2=CC=CC=C2
• Monoisotopic Mass: 192.07g/mol
• NSC Number: 616243
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 17.1A^2
• Undefined Atom Stereocenter Count: 1

Custom Q&A

What is the CAS number for 3-Methyl-1-phenyl-2-phospholene 1-oxide?

The CAS number is 707-61-9.

How many hydrogen bond acceptor groups does 3-Methyl-1-phenyl-2-phospholene 1-oxide have?

It has 1 hydrogen bond acceptor group.

What is the molecular weight of 3-Methyl-1-phenyl-2-phospholene 1-oxide?

The molecular weight is 192.19g/mol.

What is the IUPAC name for 3-Methyl-1-phenyl-2-phospholene 1-oxide?

The IUPAC name is 4-methyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide.

How many heavy atoms are in the structure of 3-Methyl-1-phenyl-2-phospholene 1-oxide?

There are 13 heavy atoms.

What is the Canonical SMILES representation of 3-Methyl-1-phenyl-2-phospholene 1-oxide?

The Canonical SMILES representation is CC1=CP(=O)(CC1)C2=CC=CC=C2.

What is the topological polar surface area of 3-Methyl-1-phenyl-2-phospholene 1-oxide?

The topological polar surface area is 17.1.

How many rotatable bonds are there in the structure of 3-Methyl-1-phenyl-2-phospholene 1-oxide?

There is 1 rotatable bond.

What is the Monoisotopic Mass of 3-Methyl-1-phenyl-2-phospholene 1-oxide?

The Monoisotopic Mass is 192.070402032.

Does 3-Methyl-1-phenyl-2-phospholene 1-oxide have any defined atom stereocenters?

No, it does not have any defined atom stereocenters.