8-Oxodecahydronaphthalene-1-carboxylic acid

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Basic information

CAS: 7463-90-3
Standard SMILES: O=C(O)C1CCCC2CCCC(=O)C21
InChIKey: YZCIDXMDOZUDAG-UHFFFAOYSA-N
Molecular formula: C11H16O3
Average molar mass: 196.24 g/mol
Monoisotopic mass: 196.10994437

Names & identifiers

Preferred name: 8-Oxodecahydronaphthalene-1-carboxylic acid
IUPAC: 8-oxo-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-1-carboxylic acid

Names & synonyms

8-oxodecahydronaphthalene-1-carboxylic acidNSC4047597463-90-31-Naphthalenecarboxylic acid, decahydro-8-oxo-DTXSID70323733NSC404757NSC-404757NSC-404759

Database identifiers

CAS: 7463-90-3
PubChem CID: 346504
DTXSID: DTXSID70323733

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 259

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Compound notes

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