4-Benzyloxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid

HCID 23150613
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Basic information

Standard SMILES
O=C(O)C12CCC(C(=O)OCc3ccccc3)(CC1)CC2
InChIKey
QMJYKYALSFDSHL-UHFFFAOYSA-N
Molecular formula
C17H20O4
Average molar mass
288.34 g/mol

Names & identifiers

Preferred name
4-Benzyloxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid
IUPAC
4-phenylmethoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid

Names & synonyms

SCHEMBL3933970QMJYKYALSFDSHL-UHFFFAOYSA-N4-benzyloxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid

Database identifiers

PubChem CID
23150613

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Related reactions

1 records
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Compound notes

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