Unii-K8704486G1
Basic information
- CAS
5296-80-0- Standard SMILES
C[NH2+]c1c(OC)cccc1C(=O)OC.[Cl-]- InChIKey
JIHJWSWOEPWMGM-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO3
- Average molar mass
- 231.67 g/mol
- Monoisotopic mass
- 231.066221
Overview
See also: Damascenine hydrochloride (preferred).
Names & identifiers
- Preferred name
- Unii-K8704486G1
- IUPAC
- (2-methoxy-6-methoxycarbonylphenyl)-methylazanium chloride
Names & synonyms
UNII-K8704486G1
Database identifiers
- CAS
5296-80-0- PubChem CID
- 21367
Properties
Computed structural properties
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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