Basic information
- CAS
29242-19-1- Standard SMILES
Cl.O=c1c2ccccc2oc2c(CN3CCCC3)cccc12- InChIKey
ANWIYDWGGZCLTK-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO2
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1026065
Names & identifiers
- Preferred name
- Xanthen-9-one, 4-pyrrolidinylmethyl-, hydrochloride
- IUPAC
- 4-(pyrrolidin-1-ylmethyl)xanthen-9-one;hydrochloride
Names & synonyms
Xanthen-9-one, 4-pyrrolidinylmethyl-, hydrochloride4-Pyrrolidinylmethylxanthen-9-one hydrochloride29242-19-1DTXSID10183499RefChem:388446DTXCID701059904-[(Pyrrolidin-1-yl)methyl]-9H-xanthen-9-one--hydrogen chloride (1/1)
Database identifiers
- CAS
29242-19-1- PubChem CID
- 207152
- DTXSID
DTXSID10183499
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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