Crotonic acid, 3-hydroxy-, benzyl ester, methyl phenyl phosphate
Basic information
- CAS
63992-58-5- Standard SMILES
COP(=O)(O/C(C)=C\C(=O)OCc1ccccc1)Oc1ccccc1- InChIKey
YIFJNSDHCQUDRS-UHFFFAOYSA-N- Molecular formula
- C18H19O6P
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 362.09192532
Names & identifiers
- Preferred name
- Crotonic acid, 3-hydroxy-, benzyl ester, methyl phenyl phosphate
- IUPAC
- benzyl (Z)-3-[methoxy(phenoxy)phosphoryl]oxybut-2-enoate
- English name
- 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester
- Molecular formula
- C18H19O6P
- Molecular weight
- 362.31
Names & synonyms
CROTONIC ACID, 3-HYDROXY-, BENZYL ESTER, METHYL PHENYL PHOSPHATE63992-58-5RefChem:1082291Shell SD-6097ENT 25,632SD 6097Phenylmethyl 3-((methoxyphenoxyphosphinyl)oxy)-2-butenoate2-Butenoic acid, 3-((methoxyphenoxyphosphinyl)oxy), phenylmethyl esterSD-6097ENT-256323-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester2-Butenoic acid, 3-[(methoxyphenoxyphosphinyl)oxy]-, phenylmethyl ester
Database identifiers
- CAS
63992-58-5- PubChem CID
- 6434809
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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