Methyl 6-methoxy-2-methyl-1-oxo-3,4-dihydrophenanthrene-2-carboxylate

HCID 345804

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Basic information

CAS: 7471-38-7
Standard SMILES: COC(=O)C1(C)CCc2c(ccc3ccc(OC)cc23)C1=O
InChIKey: IKBFNACKPKWCCC-UHFFFAOYSA-N
Molecular formula: C18H18O4
Average molar mass: 298.3 g/mol
Monoisotopic mass: 298.12050905

Names & identifiers

Preferred name: Methyl 6-methoxy-2-methyl-1-oxo-3,4-dihydrophenanthrene-2-carboxylate
IUPAC: methyl 6-methoxy-2-methyl-1-oxo-3,4-dihydrophenanthrene-2-carboxylate

Names & synonyms

7471-38-7methyl 6-methoxy-2-methyl-1-oxo-3,4-dihydrophenanthrene-2-carboxylateNSC403585DTXSID40323326NSC-403585METHYL 6-METHOXY-2-METHYL-1-OXO-1,2,3,4-TETRAHYDROPHENANTHRENE-2-CARBOXYLATE

Database identifiers

CAS: 7471-38-7
PubChem CID: 345804
DTXSID: DTXSID40323326

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 460

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