4-(2-Acetamidoethyl)-1,2-phenylene diacetate
Basic information
- CAS
41265-09-2- Standard SMILES
CC(=O)NCCc1ccc(OC(C)=O)c(OC(C)=O)c1- InChIKey
HABRVLDLGFSKNH-UHFFFAOYSA-N- Molecular formula
- C14H17NO5
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.11067264
Names & identifiers
- Preferred name
- 4-(2-Acetamidoethyl)-1,2-phenylene diacetate
- IUPAC
- [4-(2-acetamidoethyl)-2-acetyloxyphenyl] acetate
Names & synonyms
41265-09-24-(2-Acetamidoethyl)-1,2-phenylene diacetateDTXSID30319273RefChem:287054DTXCID90270396NSC343224SCHEMBL2601976NSC-343224
Database identifiers
- CAS
41265-09-2- PubChem CID
- 335080
- DTXSID
DTXSID30319273
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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