1-(carboxymethyl)-5,9-dimethoxy-2-methyl-3,4-dihydro-1H-phenanthrene-2-carboxylic acid
Basic information
- CAS
7471-41-2- Standard SMILES
COc1cc2c(c3c(OC)cccc13)CCC(C)(C(=O)O)C2CC(=O)O- InChIKey
HQYCLMHOLJQIKI-UHFFFAOYSA-N- Molecular formula
- C20H22O6
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.14163842
Names & identifiers
- Preferred name
- 1-(carboxymethyl)-5,9-dimethoxy-2-methyl-3,4-dihydro-1H-phenanthrene-2-carboxylic acid
- IUPAC
- 1-(carboxymethyl)-5,9-dimethoxy-2-methyl-3,4-dihydro-1H-phenanthrene-2-carboxylic acid
Names & synonyms
7471-41-2NSC4035901-(carboxymethyl)-5,9-dimethoxy-2-methyl-3,4-dihydro-1H-phenanthrene-2-carboxylic acidDTXSID60323328NSC-4035901-(CARBOXYMETHYL)-5,9-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROPHENANTHRENE-2-CARBOXYLIC ACID
Database identifiers
- CAS
7471-41-2- PubChem CID
- 345808
- DTXSID
DTXSID60323328
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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