Basic information
- CAS
6345-89-7- Standard SMILES
CCOC(=O)C(CCCOc1ccccc1)C(=O)OCC- InChIKey
AMGGSCWBFBWZTO-UHFFFAOYSA-N- Molecular formula
- C16H22O5
- Average molar mass
- 294.34 g/mol
- Monoisotopic mass
- 294.1467238
Names & identifiers
- Preferred name
- Diethyl (3-phenoxypropyl)malonate
- IUPAC
- diethyl 2-(3-phenoxypropyl)propanedioate
- English name
- diethyl 2-(3-phenoxypropyl)propanedioate
- Molecular formula
- C16H22O5
- Molecular weight
- 294.34
Names & synonyms
6345-89-7diethyl (3-phenoxypropyl)malonatePropanedioic acid,2-(3-phenoxypropyl)-, 1,3-diethyl esterdiethyl 2-(3-phenoxypropyl)propanedioateCBMicro_019286MLS000532478SCHEMBL7426974CHEMBL1568077DTXSID80286082HMS2191K12CCG-7313NSC43726
Show more names
(3-phenoxypropyl)diethyl propanedioatePropanedioic acid, 2-(3-phenoxypropyl)-, 1,3-diethyl ester
diethyl 2-(3-phenoxypropyl)malonateNSC-43726AKOS017547757Diethyl (3-phenoxypropyl)propanedioateSMR000137417BIM-0019296.P001AB00082909-01SR-01000206979
Database identifiers
- CAS
6345-89-7- PubChem CID
- 239013
- DTXSID
DTXSID80286082- ChEMBL
CHEMBL1568077- Nikkaji
- J916.241K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 292
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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