Basic information
- CAS
20128-12-5- Standard SMILES
CC(=O)OCc1nc2ccccc2nc1COC(C)=O- InChIKey
COCDVJKQLTZEIZ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O4
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.09535693
Names & identifiers
- Preferred name
- 2,3-Bis(acetoxymethyl)quinoxaline
- IUPAC
- [3-(acetyloxymethyl)quinoxalin-2-yl]methyl acetate
- English name
- 2,3-Quinoxalinebismethanol diacetate
- Molecular formula
- C14H14N2O4
- Molecular weight
- 274.27
Names & synonyms
2,3-Bis(acetoxymethyl)quinoxaline20128-12-52,3-QUINOXALINEDIMETHANOL, DIACETATE2,3-quinoxalinebismethanol diacetateBRN 08934052,3-Quinoxalinedimethanol, diacetate (ester)5-23-13-00267 (Beilstein Handbook Reference)DTXSID60942154COCDVJKQLTZEIZ-UHFFFAOYSA-N(Quinoxaline-2,3-diyl)bis(methylene) diacetate(3-[(Acetyloxy)methyl]-2-quinoxalinyl)methyl acetate #2,3-bis-acetoxymethyl-quinoxaline
Show more names
2,3-Quinoxalinedimethanol, 2,3-diacetate
Database identifiers
- CAS
20128-12-5- PubChem CID
- 29964
- DTXSID
DTXSID60942154- Nikkaji
- J145.218E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 92 · 92-93 °C
- Boiling point
- 417.26 °C · 417.26°C (rough estimate)
- Density
- 1.2207 · 1.2207 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- -0.6 · -0.60±0.59(Predicted)
Chemistry & industry
Suppliers1 total
济南凯西生物科技有限公司13370511208 15853141736 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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