Methyl 1-phenanthrenecarboxylate
Basic information
- CAS
25308-62-7- Standard SMILES
COC(=O)c1cccc2c1ccc1ccccc12- InChIKey
WCKSMVOOLJCPKJ-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- Methyl 1-phenanthrenecarboxylate
- IUPAC
- methyl phenanthrene-1-carboxylate
Names & synonyms
Methyl 1-phenanthrenecarboxylate25308-62-7DTXSID10300881RefChem:353395DTXCID30252015WCKSMVOOLJCPKJ-UHFFFAOYSA-Nmethyl phenanthrene-1-carboxylateMethyl 1-Phenanthroate1-Phenanthrenecarboxylicacid, methyl esterSCHEMBL9485623MFCD32192152NSC139678
Show more names
NSC-1396781-phenanthrenecarboxylic acid methyl esterSY568986DS-003146
Database identifiers
- CAS
25308-62-7- PubChem CID
- 284067
- DTXSID
DTXSID10300881- Nikkaji
- J1.743.360A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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