6-(Diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
Basic information
- CAS
131-64-6- Standard SMILES
CCN(CC)C(=O)C1CC=CCC1C(=O)O- InChIKey
FVZDUKGVISGJCQ-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 6-(Diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
- IUPAC
- 6-(diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
Names & synonyms
6-(diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid131-64-6DTXSID40274723RefChem:306779DTXCID60226183NSC6279NSC-6279AKOS000128627NS000469024-diethylcarbamoyl-1-cyclohexene-5-carboxylic acid3-Cyclohexene-1-carboxylic acid, 6-(diethylcarbamoyl)-3-Cyclohexene-1-carboxylic acid, 6-[(diethylamino)carbonyl]-
Database identifiers
- CAS
131-64-6- PubChem CID
- 21948
- DTXSID
DTXSID40274723- Nikkaji
- J342.920B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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