Diethyl (6-hydroxybicyclo[3.1.0]hexan-6-yl)propanedioate

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Basic information

CAS: 71911-61-0
Standard SMILES: CCOC(=O)C(C(=O)OCC)C1(O)C2CCCC21
InChIKey: LZGATMXPAQOFRO-UHFFFAOYSA-N
Molecular formula: C13H20O5
Average molar mass: 256.29 g/mol
Monoisotopic mass: 256.13107373

Names & identifiers

Preferred name: Diethyl (6-hydroxybicyclo[3.1.0]hexan-6-yl)propanedioate
IUPAC: diethyl 2-(6-hydroxy-6-bicyclo[3.1.0]hexanyl)propanedioate

Names & synonyms

71911-61-0NSC305492Diethyl (6-hydroxybicyclo[3.1.0]hexan-6-yl)propanedioateDTXSID40316652DIETHYL 2-(6-HYDROXY-6-BICYCLO[3.1.0]HEXYL)PROPANEDIOATENSC-305492DS-0005272-(6-hydroxy-6-bicyclo[3.1.0]hexanyl)-propanedioic acid diethyl ester

Database identifiers

CAS: 71911-61-0
PubChem CID: 328057
DTXSID: DTXSID40316652

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 323

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Compound notes

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