Methyl 3-(8-chloro-5-methoxy-4-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
Basic information
- CAS
792-43-8- Standard SMILES
COC(=O)CCC1CC(=O)c2c(OC)ccc(Cl)c2C1- InChIKey
DPCVBZKLGCBATN-UHFFFAOYSA-N- Molecular formula
- C15H17ClO4
- Average molar mass
- 296.74 g/mol
- Monoisotopic mass
- 296.0815367
Names & identifiers
- Preferred name
- Methyl 3-(8-chloro-5-methoxy-4-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
- IUPAC
- methyl 3-(8-chloro-5-methoxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl)propanoate
- English name
- Methyl 3-(8-chloro-5-methoxy-4-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
- Molecular formula
- C15H17ClO4
- Molecular weight
- 296.75
Names & synonyms
792-43-8NSC71281methyl 3-(8-chloro-5-methoxy-4-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoateDTXSID40290827NSC-71281methyl 3-(8-chloro-5-methoxy-4-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoate2-Naphthalenepropanoic acid, 8-chloro-1,2,3,4-tetrahydro-5-methoxy-4-oxo-, methyl ester
Database identifiers
- CAS
792-43-8- PubChem CID
- 251102
- DTXSID
DTXSID40290827
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Boiling point
- 433.4 · 433.4±45.0 °C(Predicted)
- Density
- 1.222 · 1.222±0.06 g/cm3(Predicted)
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Compound notes
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