1-Ethyl-3-methyl-3-phospholene 1-Oxide - CAS 7529-24-0
Catalog: |
BB065631 |
Product Name: |
1-Ethyl-3-methyl-3-phospholene 1-Oxide |
CAS: |
7529-24-0 |
Synonyms: |
1-Ethyl-3-methyl-3-phospholene 1-oxide; 1-Ethyl-3-methyl-2,5-dihydro-1H-1lambda~5~-phosphol-1-one; 1H-Phosphole, 1-ethyl-2,5-dihydro-3-methyl-, 1-oxide; 1-ethyl-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide; 1-Ethyl-3-methyl-2,5-dihydro-1H-phosphole 1-oxide; 1-ethyl-3-methyl-2,5-dihydro-1H-1|E?-phosphol-1-one |
IUPAC Name: | 1-ethyl-3-methyl-2,5-dihydro-1λ5-phosphole 1-oxide |
Molecular Weight: | 144.15 |
Molecular Formula: | C7H13OP |
Canonical SMILES: | CCP1(=O)CC=C(C1)C |
InChI: | InChI=1S/C7H13OP/c1-3-9(8)5-4-7(2)6-9/h4H,3,5-6H2,1-2H3 |
InChI Key: | UHHKAVNUKKRGJE-UHFFFAOYSA-N |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.070402032 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.070402032 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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