Basic information
- CAS
185672-77-9- Standard SMILES
O=C(O)CCC(=NO)c1ccc2oc3ccccc3c2c1- InChIKey
ODQJWIMYDRXPBG-UHFFFAOYSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.0844579
Names & identifiers
- Preferred name
- 4-Dibenzofuran-2-yl-4-hydroxyiminobutanoic acid
- IUPAC
- 4-dibenzofuran-2-yl-4-hydroxyiminobutanoic acid
- English name
- MMP-3 INHIBITOR V
- Molecular formula
- C16H13NO4
- Molecular weight
- 283.28
Names & synonyms
4-dibenzofuran-2-yl-4-hydroxyiminobutanoic acid185672-77-9SCHEMBL3494005DTXSID40274420ODQJWIMYDRXPBG-UHFFFAOYSA-N4-Dibenzofuran-2-yl-4-hydroximino-butyric acidMMP-3 INHIBITOR V4-DIBENZOFURAN-2'-YL-4-HYDROXIMINO-BUTYRIC ACID
Database identifiers
- CAS
185672-77-9- PubChem CID
- 4226
- DTXSID
DTXSID40274420
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Boiling point
- 545.767 · 545.767±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.364 · 1.364±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 4.278 · 4.278±0.10(predicted)
Chemistry & industry
Suppliers5 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
KANTO[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
NOVABIO[email protected]
Related reactions
4 records
Compound notes
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