(1r,2r,4r)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

HCID 244604

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Basic information

CAS: 6703-30-6
Standard SMILES: CC1(C)[C@@H]2CC[C@]1(C)[C@H](C(=O)O)C2
InChIKey: ZURRKVIQUKNLHF-VHSKPIJISA-N
Molecular formula: C11H18O2
Average molar mass: 182.26 g/mol
Monoisotopic mass: 182.13067981

Names & identifiers

Preferred name: (1r,2r,4r)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
IUPAC: (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Names & synonyms

6703-30-62-Bornanecarboxylic acid, endo-(1r,2r,4r)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acidBornylic acidSCHEMBL29710695DTXSID70985911NSC55585NSC-55585endo-1,7-Trimethylnorbornane-2-carboxylic acidBicyclo[2.2.1]heptane-2-carboxylic acid,7,7-trimethyl-, endo-

Database identifiers

CAS: 6703-30-6
PubChem CID: 244604
DTXSID: DTXSID70985911

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 257

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