Basic information
- CAS
98589-58-3- Standard SMILES
O=C(O)C(=O)CC(=O)c1ccncc1- InChIKey
ROQQLNHLFCKPOQ-UHFFFAOYSA-N- Molecular formula
- C9H7NO4
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.0375077
Names & identifiers
- Preferred name
- 2,4-Dioxo-4-pyridin-4-ylbutanoic acid
- IUPAC
- 2,4-dioxo-4-pyridin-4-ylbutanoic acid
- English name
- 2,4-DIOXO-4-PYRIDIN-4-YLBUTANOIC ACID
- Molecular formula
- C9H7NO4
- Molecular weight
- 193.16
Names & synonyms
98589-58-32,4-dioxo-4-pyridin-4-ylbutanoic acid2,4-dioxo-4-(pyridin-4-yl)butanoic acidMFCD06245354CHEMBL1772972,4-dioxo-4-(4-pyridyl)butanoic acid4-Pyridinebutanoicacid, a,g-dioxo-2,4-Dioxo-4-pyridin-4-yl-butyric acidSCHEMBL17179998DTXSID10333674BDBM50137852AKOS005257494
Show more names
α,γ-Dioxo-4-pyridinebutanoic acidα,γ-Dioxo-4-pyridinebutanoic acid4-Pyridinebutanoic acid, α,γ-dioxo-
2,4-Dioxo-4-pyridin-4-ylbutanoic acid, AldrichCPR
Database identifiers
- CAS
98589-58-3- PubChem CID
- 516697
- DTXSID
DTXSID10333674- ChEMBL
CHEMBL177297
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- form
- powder
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P310
- Hazard Codes
- Xi
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P301+P310
Chemistry & industry
Suppliers5 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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