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Basic information
- CAS
61296-14-8- Standard SMILES
CC(=O)Oc1ccc[nH]c1=O- InChIKey
AVXFMBRAPTYFOX-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259309
Names & identifiers
- Preferred name
- 3-(Acetyloxy)-2(1H)-pyridinone
- IUPAC
- (2-oxo-1H-pyridin-3-yl) acetate
- English name
- 3-ACETOXY-2(1H)-PYRIDONE 97
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
3-Acetoxy-2-pyridone61296-14-82(1H)-Pyridinone, 3-(acetyloxy)-7SA98HU0QRNSC-109884NSC-169962DTXSID002101873-(ACETYLOXY)-2(1H)-PYRIDINONERefChem:92776DTXCID00132678262-698-52-oxo-1,2-dihydropyridin-3-yl acetate
Show more names
3-Acetoxy-2(1H)-pyridinone3-ACETOXY-2(1H)-PYRIDONE 973-ACETOXY-2(1H)-PYRIDONE 97%
(2-oxo-1H-pyridin-3-yl) acetate3-acetoxy-2-(1h)-pyridone1,2-Dihydro-2-oxo-3-pyridyl acetateNSC1098842(1H)-Pyridone, 3-hydroxy-, acetate (ester)3-ACETOXY-2(1H)-PYRIDONEEINECS 262-698-5NSC169962
Database identifiers
- CAS
61296-14-8- PubChem CID
- 97266
- DTXSID
DTXSID00210187- UNII
- 7SA98HU0QR
- EC Number
- 262-698-5
- Nikkaji
- J268.436E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 145 · 145-149 °C(lit.)
- Boiling point
- 370.8 · 370.8±35.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 10.91 · 10.91±0.10(Predicted)
- FDA UNII
- 7 SA98HU0QR · 7SA98HU0QR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H317-H335
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-43
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 22-36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard statements
- H315-H319-H302-H317-H335
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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