Basic information
- CAS
113668-43-2- Standard SMILES
CC(=O)N(C(C)=O)c1cc2cc3ccc(O)cc3c3ccc4c(O)ccc1c4c23- InChIKey
QYWYDMHSAAEMAF-UHFFFAOYSA-N- Molecular formula
- C24H17NO4
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.11575802
Names & identifiers
- Preferred name
- Acetamide, N-acetyl-N-(1,9-dihydroxybenzo(a)pyren-4-yl)-
- IUPAC
- N-acetyl-N-(1,9-dihydroxybenzo[a]pyren-4-yl)acetamide
Names & synonyms
Acetamide, N-acetyl-N-(1,9-dihydroxybenzo(a)pyren-4-yl)-113668-43-2n-acetyl-n-(1,9-dihydroxybenzo[pqr]tetraphen-4-yl)acetamide4-(N,N-Diacetylamino)benzo(a)pyrene-1,9-hydroquinoneN-Acetyl-N-(1,9-dihydroxybenzo(a)pyren-4-yl)acetamideDTXSID80150512
Database identifiers
- CAS
113668-43-2- PubChem CID
- 190802
- DTXSID
DTXSID80150512
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 666
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…