Methyl 4-phenanthrenecarboxylate
Basic information
- CAS
18266-47-2- Standard SMILES
COC(=O)c1cccc2ccc3ccccc3c12- InChIKey
YFZHEMZULMTHPM-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- Methyl 4-phenanthrenecarboxylate
- IUPAC
- methyl phenanthrene-4-carboxylate
Names & synonyms
Methyl 4-phenanthrenecarboxylate18266-47-2DTXSID50300880RefChem:355831DTXCID70252014YFZHEMZULMTHPM-UHFFFAOYSA-Nmethyl phenanthrene-4-carboxylateSCHEMBL124867114-phenanthroic acid methyl esterNSC139676NSC-139676DS-011474
Database identifiers
- CAS
18266-47-2- PubChem CID
- 284065
- DTXSID
DTXSID50300880- Nikkaji
- J2.111.991A
Properties
Computed structural properties
- XLogP
- 4.3
- 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
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Related reactions
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Compound notes
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