[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-hydroxybenzoate
Basic information
- CAS
721905-06-2- Standard SMILES
O=C(COC(=O)c1ccc(O)cc1)Nc1ccc2c(c1)OCCO2- InChIKey
LSUZOGXBHPUJJO-UHFFFAOYSA-N- Molecular formula
- C17H15NO6
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.0899372
Names & identifiers
- Preferred name
- [2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-hydroxybenzoate
- IUPAC
- [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-hydroxybenzoate
Names & synonyms
MLS002246587[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-hydroxybenzoateSMR001310195CHEMBL1711883BDBM79785cid_2376953DTXSID101333330HMS3094B03AKOS033699243721905-06-2Z196738422-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl 4-hydroxybenzoate
Show more names
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylbenzoate4-hydroxybenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester4-hydroxybenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester
Database identifiers
- CAS
721905-06-2- PubChem CID
- 2376953
- DTXSID
DTXSID101333330- ChEMBL
CHEMBL1711883
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
Solubility21.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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