P-[(2E)-3-Cyano-2-methyl-2-propen-1-yl]phosphonic Acid Diphenyl Ester - CAS 723761-32-8
Catalog: |
BB069029 |
Product Name: |
P-[(2E)-3-Cyano-2-methyl-2-propen-1-yl]phosphonic Acid Diphenyl Ester |
CAS: |
723761-32-8 |
Synonyms: |
[(2E)-3-Cyano-2-methyl-2-propenyl]phosphonic Acid Diphenyl Ester |
IUPAC Name: | (E)-4-diphenoxyphosphoryl-3-methylbut-2-enenitrile |
Description: | P-[(2E)-3-Cyano-2-methyl-2-propen-1-yl]phosphonic Acid Diphenyl Ester is a constituent used in preparing retinoid compounds at any position in the conjugated tail. |
Molecular Weight: | 313.29 |
Molecular Formula: | C17H16NO3P |
Canonical SMILES: | CC(=CC#N)CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 |
InChI: | InChI=1S/C17H16NO3P/c1-15(12-13-18)14-22(19,20-16-8-4-2-5-9-16)21-17-10-6-3-7-11-17/h2-12H,14H2,1H3/b15-12+ |
InChI Key: | BSYIWTSEFXVTPC-NTCAYCPXSA-N |
Solubility: | Chloroform, DCM, Methanol |
Appearance: | Pale Yellow Solid |
Storage: | Amber Vial, -20°C Freezer |
References: | Wang, Y.J., et al. Eur. J. Org. Chem., 24, 5100 (2004). |
Complexity: | 444 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 313.08678037 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.08678037 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 59.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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