Basic information
- CAS
53164-45-7- Standard SMILES
N=c1ccc2cc3ccc(N)cc3oc-2c1- InChIKey
DJXIADRXORLNJX-UHFFFAOYSA-N- Molecular formula
- C13H10N2O
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.07931295
Names & identifiers
- Preferred name
- 3H-Xanthen-6-amine, 3-imino-
- IUPAC
- 6-iminoxanthen-3-amine
Names & synonyms
3H-Xanthen-6-amine, 3-imino-3-IMINO-3H-XANTHEN-6-AMINE53164-45-7SCHEMBL308355DTXSID00275736
Database identifiers
- CAS
53164-45-7- PubChem CID
- 74995
- DTXSID
DTXSID00275736- Nikkaji
- J1.434.489F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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