Diethyl (3-cyano-2-methylallyl)phosphonate - CAS 87549-50-6
Catalog: |
BB038520 |
Product Name: |
Diethyl (3-cyano-2-methylallyl)phosphonate |
CAS: |
87549-50-6 |
Synonyms: |
4-diethoxyphosphoryl-3-methylbut-2-enenitrile |
IUPAC Name: | 4-diethoxyphosphoryl-3-methylbut-2-enenitrile |
Description: | Diethyl (3-cyano-2-methylallyl)phosphonate (CAS# 87549-50-6) is a compound useful in organic synthesis. |
Molecular Weight: | 217.20 |
Molecular Formula: | C9H16NO3P |
Canonical SMILES: | CCOP(=O)(CC(=CC#N)C)OCC |
InChI: | InChI=1S/C9H16NO3P/c1-4-12-14(11,13-5-2)8-9(3)6-7-10/h6H,4-5,8H2,1-3H3 |
InChI Key: | OPUURRZDCJCVGT-UHFFFAOYSA-N |
Appearance: | Colourless thick oil |
LogP: | 2.72238 |
Publication Number | Title | Priority Date |
CN-111117414-A | Fireproof waterproof canvas coating and preparation method thereof | 20200106 |
US-2020033361-A1 | Detection and Quantitation Method for Proteomics of Post-Translational Modifications | 20170324 |
EP-0588915-A1 | Azulenic retinoid compounds, compositions and methods | 19910528 |
US-5235076-A | Azulenic retinoid compounds, compositions and methods | 19910528 |
WO-9221643-A1 | Azulenic retinoid compounds, compositions and methods | 19910528 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.08678037 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.08678037 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 59.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 0.8 |
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