Basic information
- CAS
2703-61-9- Standard SMILES
COP(=O)(OC)O/C(C)=C\C(=O)OCc1ccccc1- InChIKey
GZMFAOPDGXFQBN-LUAWRHEFSA-N- Molecular formula
- C13H17O6P
- Average molar mass
- 300.24 g/mol
- Monoisotopic mass
- 300.07627526
Names & identifiers
- Preferred name
- 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, phenylmethyl ester
- IUPAC
- benzyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate
Names & synonyms
Shell SD-4092BRN 3155738ENT 24,654SD-4092AI3-246542-BUTENOIC ACID, 3-((DIMETHOXYPHOSPHINYL)OXY)-, PHENYLMETHYL ESTER4-06-00-02475 (Beilstein Handbook Reference)RefChem:2579322703-61-9benzyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate
Database identifiers
- CAS
2703-61-9- PubChem CID
- 6433342
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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