2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride
Basic information
- CAS
98317-60-3- Standard SMILES
Cc1ccc2oc(=O)cc(C[NH3+])c2c1.[Cl-]- InChIKey
TVDZHOWTOPESPR-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2
- Average molar mass
- 225.67 g/mol
- Monoisotopic mass
- 225.0556563
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 4-(aminomethyl)-6-methyl-, hydrochloride
- IUPAC
- (6-methyl-2-oxochromen-4-yl)methylazanium chloride
Names & synonyms
2H-1-BENZOPYRAN-2-ONE, 4-(AMINOMETHYL)-6-METHYL-, HYDROCHLORIDERefChem:106516898317-60-34-(Aminomethyl)-6-methyl-2H-1-benzopyran-2-one hydrochloride
Database identifiers
- CAS
98317-60-3- PubChem CID
- 57358
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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