Basic information
- CAS
27864-56-8- Standard SMILES
CCCCCCCOC(=O)c1ccc(OP(=O)(O)O)cc1- InChIKey
HRADMCOBKDCLHI-UHFFFAOYSA-N- Molecular formula
- C14H21O6P
- Average molar mass
- 316.29 g/mol
- Monoisotopic mass
- 316.10757538
Names & identifiers
- Preferred name
- Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate
- IUPAC
- heptyl 4-phosphonooxybenzoate
Names & synonyms
p-Heptoxycarbonylphenyl phosphate1-Heptyl 4-(phosphonooxy)benzoate27864-56-8Benzoic acid, 4-(phosphonooxy)-, 1-heptyl esterBENZOIC ACID, p-HYDROXY-, HEPTYL ESTER, DIHYDROGEN PHOSPHATEDTXSID20182170RefChem:327945DTXCID30104661Benzoic acid, 4-(phosphonooxy)-, 1-heptyl ester (9CI)Heptyl 4-(phosphonooxy)benzoate
Database identifiers
- CAS
27864-56-8- PubChem CID
- 34049
- DTXSID
DTXSID20182170
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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