Basic information
- CAS
97135-11-0- Standard SMILES
O=c1c2c(c3c(ccc4cc5c(ccc6ccccc65)[nH]c43)c1O)O2- InChIKey
MGXDHUUGXBPXIW-UHFFFAOYSA-N- Molecular formula
- C21H11NO3
- Average molar mass
- 325.3 g/mol
- Monoisotopic mass
- 325.07389321
Names & identifiers
- Preferred name
- Ccris 3572
- IUPAC
- 20-hydroxy-17-oxa-13-azahexacyclo[12.9.0.03,12.04,9.015,21.016,18]tricosa-1,3(12),4,6,8,10,14,16(18),20,22-decaen-19-one
Names & synonyms
97135-11-0CCRIS 3572anti-(+-)-Dibenz(a,h)acridine-10,11-diol-8,9-epoxideDTXSID109141643-Hydroxybenzo[a][1]benzoxireno[2,3-h]acridin-2(13H)-oneANTI-(+/-)-DIBENZ[A,H]ACRIDINE-10,11-DIOL-8,9-EPOXIDE
Database identifiers
- CAS
97135-11-0- PubChem CID
- 152016
- DTXSID
DTXSID10914164
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 870
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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