Basic information
- CAS
93321-42-7- Standard SMILES
CCOC(=O)c1ccc2ccc3ccccc3c2c1- InChIKey
XGGPWBCYWFCCES-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Names & identifiers
- Preferred name
- Ethyl phenanthrene-3-carboxylate
- IUPAC
- ethyl phenanthrene-3-carboxylate
- English name
- 3-Phenanthrenecarboxylic acid ethyl ester
- Molecular formula
- C17H14O2
- Molecular weight
- 250.29
Names & synonyms
ethyl phenanthrene-3-carboxylate93321-42-7Ethylphenanthrene-3-carboxylateNSC1738DTXSID20277338NSC-1738ETHYL 3-PHENANTHRYLCARBOXYLATEAKOS015838806phenanthrene-3-carboxylic acid ethyl esterDB-0221903-PHANANTHRENECARBOXYLIC ACID, ETHYL ESTERQ63395828
Show more names
3-Phenanthrenecarboxylic acid ethyl ester
Database identifiers
- CAS
93321-42-7- PubChem CID
- 219923
- DTXSID
DTXSID20277338- Nikkaji
- J354.703E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Melting point
- 56 · 56-57 °C
- Boiling point
- 416.1 · 416.1±14.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers2 total
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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