Basic information
- CAS
28142-59-8- Standard SMILES
CCCC1(c2cccc(OC(C)=O)c2)CCN(CCc2ccc(OC(C)=O)c(OC(C)=O)c2)C1- InChIKey
LNEQEKZYORILSI-UHFFFAOYSA-N- Molecular formula
- C27H33NO6
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.23078777
Names & identifiers
- Preferred name
- Pyrocatechol, 4-(2-(3-(m-hydroxyphenyl)-3-propyl-1-pyrrolidinyl)ethyl)-, triacetate
- IUPAC
- [2-acetyloxy-4-[2-[3-(3-acetyloxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]phenyl] acetate
- English name
- 4-(2-(3-(m-Hydroxyphenyl)-3-propyl-1-pyrrolidinyl)ethyl)pyrocatechol t riacetate
- Molecular formula
- C27H33NO6
- Molecular weight
- 0
Names & synonyms
BRN 151925228142-59-84-(2-(3-(m-Hydroxyphenyl)-3-propyl-1-pyrrolidinyl)ethyl)pyrocatechol triacetatePyrocatechol, 4-(2-(3-(m-hydroxyphenyl)-3-propyl-1-pyrrolidinyl)ethyl)-, triacetateRefChem:377812DTXSID709508814-(2-{3-[3-(Acetyloxy)phenyl]-3-propylpyrrolidin-1-yl}ethyl)-1,2-phenylene diacetateReaxys ID: 15192524-(2-(3-(m-Hydroxyphenyl)-3-propyl-1-pyrrolidinyl)ethyl)pyrocatechol t riacetate
Database identifiers
- CAS
28142-59-8- PubChem CID
- 206552
- DTXSID
DTXSID70950881
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 711
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…