Basic information
- CAS
4895-92-5- Standard SMILES
CCOC(=O)c1cc2ccccc2c2ccccc12- InChIKey
ARHQZWZBFKDLTQ-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Names & identifiers
- Preferred name
- Ethyl phenanthrene-9-carboxylate
- IUPAC
- ethyl phenanthrene-9-carboxylate
- English name
- ethyl phenanthrene-9-carboxylate
- Molecular formula
- C17H14O2
- Molecular weight
- 250.29
Names & synonyms
ethyl phenanthrene-9-carboxylate4895-92-5Phenanthrene-9-carboxylic acid ethyl esterMFCD06204626NSC226822SCHEMBL14141531DTXSID50964143AKOS015843487NSC-2268225199-23-59-Phenanthrenecarboxylic acid, ethyl ester
Database identifiers
- CAS
4895-92-5- PubChem CID
- 313229
- DTXSID
DTXSID50964143- Nikkaji
- J2.563.904I
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
- 58 °C · 58 °C
- Boiling point
- 416.1 · 416.1±14.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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