Basic information
- CAS
90053-07-9- Standard SMILES
O=C(O)CCCn1c2ccccc2c(=O)c2ccccc21- InChIKey
QXMSWLUVAGUMQV-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 10(9H)-Acridinebutanoic acid, 9-oxo-
- IUPAC
- 4-(9-oxoacridin-10-yl)butanoic acid
- English name
- 9-Oxo-10(9H)-acridinebutanoic acid
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.31
Names & synonyms
90053-07-910(9H)-Acridinebutanoic acid, 9-oxo-9-Oxo-10(9H)-acridinebutanoic acid9-Oxo-10-acridinebutyric acid, sodium saltDTXSID30238011RefChem:235575DTXCID501605024-(9-oxoacridin-10-yl)butanoic acid4-(9-OXO-9,10-DIHYDROACRIDIN-10-YL)BUTANOIC ACID10(9H)-Acridinebutanoicacid, 9-oxo-4-(9-Oxoacridin-10(9H)-yl)butanoic acid4-(10-acridonyl) butyric acid
Show more names
4-(9-Oxo-9,10-dihydro-10-acridinyl)butanoic acid
QDA05307AKOS000205883I83752EN300-7549903
Database identifiers
- CAS
90053-07-9- PubChem CID
- 150302
- DTXSID
DTXSID30238011
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Melting point
- 250 °C · >250 °C
- Boiling point
- 514.7 · 514.7±39.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 4.65 · 4.65±0.10(Predicted)
Chemistry & industry
Suppliers1 total
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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