2-Bornanecarboxylic acid

HCID 565594

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(C)C2CCC1(C)C(C(=O)O)C2
InChIKey: ZURRKVIQUKNLHF-UHFFFAOYSA-N
Molecular formula: C11H18O2
Average molar mass: 182.26 g/mol
Monoisotopic mass: 182.13067981

Names & identifiers

Preferred name: 2-Bornanecarboxylic acid
IUPAC: 1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Names & synonyms

CAMPHANIC ACID2-Bornanecarboxylic acid1,7,7-Trimethylbicyclo[2.2.1]heptane-2-carboxylic acidCamphancarbonsaeureBornanecarboxylic acidCamphancarbonsaeure [German]SCHEMBL654644SCHEMBL1665205SCHEMBL7080802NIOSH/DT5010000AKOS016035589DT50100000

Show more names

1,7,7-Trimethylbicyclo(2.2.1)heptanecarboxylic acid1,7,7-Trimethylbicyclo[2.2.1]heptane-2-carboxylic acid #Bicyclo(2.2.1)heptanecarboxylic acid, 1,7,7-trimethyl-

Database identifiers

PubChem CID: 565594
Nikkaji: J1.541.980F

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

Related reactions

5 records

New reaction record

HRID 160994As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 302623As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 695879As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1198008As productuspto-grants-1994_01

HRID 1229803As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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