2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-10-(2-(diethylamino)ethoxy)-8,8-dimethyl-9-hydroxy-, hydrate
Basic information
- CAS
57802-44-5- Standard SMILES
CCN(CC)CCOc1c2c(cc3ccc(=O)oc13)OCC(C)(C)C2O.O- InChIKey
ZJYUNBOMNSHGRP-UHFFFAOYSA-N- Molecular formula
- C20H29NO6
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.19948764
Names & identifiers
- Preferred name
- 2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-10-(2-(diethylamino)ethoxy)-8,8-dimethyl-9-hydroxy-, hydrate
- IUPAC
- 5-[2-(diethylamino)ethoxy]-4-hydroxy-3,3-dimethyl-2,4-dihydropyrano[2,3-g]chromen-7-one;hydrate
Names & synonyms
3'-Hydroxy-4'-(beta-diethylaminoethoxy)-3',4'-dihydroseselin hydrate2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 9,10-dihydro-10-(2-(diethylamino)ethoxy)-8,8-dimethyl-9-hydroxy-, hydrate57802-44-5RefChem:267560DTXSID2097338810-[2-(Diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-8,9-dihydrobenzo[1,2-b:4,5-b']dipyran-2(7H)-one--water (1/1)
Database identifiers
- CAS
57802-44-5- PubChem CID
- 42561
- DTXSID
DTXSID20973388
Properties
Computed structural properties
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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