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Basic information
- CAS
13425-53-1- Standard SMILES
CCC(=C(CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1- InChIKey
NLORYLAYLIXTID-UHFFFAOYSA-N- Molecular formula
- C18H22O8P2
- Average molar mass
- 428.3 g/mol
- Monoisotopic mass
- 428.07899165
Names & identifiers
- Preferred name
- 3-Hexene-3,4-diylbis(4,1-phenylene)bis[dihydrogen (phosphate)]
- IUPAC
- [4-[4-(4-phosphonooxyphenyl)hex-3-en-3-yl]phenyl] dihydrogen phosphate
Names & synonyms
SCHEMBL6231203[(3E)-Hex-3-ene-3,4-diyl]di(4,1-phenylene) bis[dihydrogen (phosphate)]DTXSID80859452NCGC00181335-02NS00087261(Hex-3-ene-3,4-diyl)di(4,1-phenylene) bis[dihydrogen (phosphate)]3-Hexene-3,4-diylbis(4,1-phenylene)bis[dihydrogen (phosphate)]
Database identifiers
- CAS
13425-53-1- PubChem CID
- 3416
- DTXSID
DTXSID80859452
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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