(2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid
Basic information
- CAS
790648-13-4- Standard SMILES
CC1(C)C2CCC1(C)C(O)(CC(=O)O)C2- InChIKey
HBWSRVTVYLQCPC-UHFFFAOYSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
- Monoisotopic mass
- 212.1412445
Overview
(2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid has been reported in Cannabis sativa with data available.
Names & identifiers
- Preferred name
- (2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid
- IUPAC
- 2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
- English name
- Bicyclo[2.2.1]heptane-2-acetic acid, 2-hydroxy-1,7,7-trimethyl- (9CI)
- Molecular formula
- C12H20O3
- Molecular weight
- 212.29
Names & synonyms
790648-13-42-(2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)acetic acidSCHEMBL29904935DTXSID40392491(2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)acetic acidDB-275109BICYCLO[2.2.1]HEPTANE-2-ACETIC ACID, 2-HYDROXY-1,7,7-TRIMETHYL-2-(3-hydroxy-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)acetic acidBicyclo[2.2.1]heptane-2-acetic acid, 2-hydroxy-1,7,7-trimethyl- (9CI)
Database identifiers
- CAS
790648-13-4- PubChem CID
- 3439780
- DTXSID
DTXSID40392491
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 334.3 · 334.3±15.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 4.72 · 4.72±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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