Basic information
- CAS
89775-51-9- Standard SMILES
CC1=NC(C(=O)O)CC1C.Cl- InChIKey
ZKJCBIUQOTVBEY-UHFFFAOYSA-N- Molecular formula
- C7H12ClNO2
- Average molar mass
- 177.63 g/mol
- Monoisotopic mass
- 177.0556563
Names & identifiers
- Preferred name
- 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
- IUPAC
- 4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid;hydrochloride
Names & synonyms
89775-51-9DTXSID70712784NSC19504NSC-19504NSC519055NSC-5190554,5-Dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
89775-51-9- PubChem CID
- 54599482
- DTXSID
DTXSID70712784
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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