2,5-Cyclohexadiene-1-carboxylic acid
Properties
- Molecular formula
- C7H8O2
- Molar mass
- 124.14 g/mol
- Exact mass
- 124.0524 Da
- logP
- 1.20Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501
Identifiers
CAS number
4794-04-1SMILES
C1C=CC(C=C1)C(=O)OInChIKey
SITZRXZBFQSDJO-UHFFFAOYSA-NInChI
InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h2-6H,1H2,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Cyclohexa-2,5-diene-1-carboxylic acid
- Cyclohexa-2,5-dienecarboxylic acid
- 1,4-Dihydrobenzoicacid
- 1,4-Dihydro-benzoesaure
- Cyclohexa-2,5-dienecarboxylicacid
- 2,5-Cyclohexadiene carboxylic acid
Reactions
Work with 2,5-Cyclohexadiene-1-carboxylic acid
Similar compounds
Rel-(1R,2S)-4-Cyclohexene-1,2-dicarboxylic acid2305-26-246 % similar
3-Cyclopentene-1-carboxylic acid7686-77-346 % similar
3,4-Dehydro-L-proline4043-88-343 % similar
5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-043 % similar
5-Norbornene-2,3-dicarboxylic acid3813-52-343 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-740 % similar
(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-640 % similar
Cyclopropanecarboxylic acid1759-53-140 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.