Basic information
- CAS
117672-90-9- Standard SMILES
C=CCOC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
CNDNWUSNRRQENG-UHFFFAOYSA-N- Molecular formula
- C22H20NO2P
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.12316588
Names & identifiers
- Preferred name
- Carbamic acid, (triphenylphosphoranylidene)-, 2-propenyl ester
- IUPAC
- prop-2-enyl N-(triphenyl-λ5-phosphanylidene)carbamate
Names & synonyms
DTXSID201179620Carbamic acid, (triphenylphosphoranylidene)-, 2-propenyl ester117672-90-9Prop-2-en-1-yl (triphenyl-lambda~5~-phosphanylidene)carbamate
Database identifiers
- CAS
117672-90-9- PubChem CID
- 14280232
- DTXSID
DTXSID201179620
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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