Basic information
- CAS
3688-37-7- Standard SMILES
CCOC(C)C(=O)C=O- InChIKey
VUNAKDMJSGEODG-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- 3-Ethoxy-2-oxobutyraldehyde
- IUPAC
- 3-ethoxy-2-oxobutanal
- English name
- 3-ethoxy-2-oxobutyraldehyde
- Molecular formula
- C6H10O3
- Molecular weight
- 130.1418
Names & synonyms
3-Ethoxy-2-oxobutyraldehydeRefChem:7942723-ethoxy-2-oxobutanal3688-37-7Butanal, 3-ethoxy-2-oxo-Kethoxal anhydrous2HAV7G194PEINECS 222-986-3UNII-2HAV7G194PButyraldehyde, 3-ethoxy-2-oxo-3-ethoxy-2-oxo-bu-tanalorb3027519
Show more names
β-Ethoxy-α-ketobutyraldehyde
SCHEMBL7945627SCHEMBL27754107DTXSID10863249VUNAKDMJSGEODG-UHFFFAOYSA-NDB-326072NS00047910.BETA.-ETHOXY-.ALPHA.-KETOBUTYRALDEHYDET207663
Database identifiers
- CAS
3688-37-7- PubChem CID
- 107149
- DTXSID
DTXSID10863249- UNII
- 2HAV7G194P
- EC Number
- 222-986-3
- Nikkaji
- J205.600C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- FDA UNII
- 2 HAV7G194P · 2HAV7G194P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Butanal, 3-ethoxy-2-oxo-
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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