Basic information
- CAS
198283-90-8- Standard SMILES
Cc1cccc(C)c1NC(=O)C1CC=CCC1C(=O)O- InChIKey
PVYMNIJDLNZWFT-UHFFFAOYSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
Names & identifiers
- Preferred name
- 6-[(2,6-Dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
- IUPAC
- 6-[(2,6-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
- English name
- 6-[(2,6-dimethylanilino)carbonyl]cyclohex-3-ene-1-carboxylic acid
- Molecular formula
- C16H19NO3
- Molecular weight
- 273.32696
Names & synonyms
6-[(2,6-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid198283-90-86-[(2,6-dimethylanilino)carbonyl]cyclohex-3-ene-1-carboxylic acidCBKinase1_002282CBKinase1_014682Cambridge id 7211459Oprea1_695715AG-690/12868645STK268216AKOS001329390AKOS016882167NCGC01446300-01
Show more names
ST50446669SR-01000494084SR-01000494084-1BRD-A21022978-001-01-2Z571256226-[N-(2,6-dimethylphenyl)carbamoyl]cyclohex-3-enecarboxylic acidN-(2,6-DIMETHYLPHENYL)-1,2,3,6-TETRAHYDROPHTHALAMIC ACID
Database identifiers
- CAS
198283-90-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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