Basic information
- CAS
438565-34-5- Standard SMILES
OCc1cc(-c2ccc3c(c2)OCO3)no1- InChIKey
ZHPSCWJFYANYDL-UHFFFAOYSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Names & identifiers
- Preferred name
- 3-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol
- IUPAC
- [3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol
- English name
- (3-Benzo[1,3]dioxol-5-yl-isoxazol-5-yl)-methanol
- Molecular formula
- C11H9NO4
- Molecular weight
- 219.19
Names & synonyms
438565-34-5RefChem:2731023-(1,3-Benzodioxol-5-yl)-5-isoxazolemethanol(3-BENZO[1,3]DIOXOL-5-YL-ISOXAZOL-5-YL)-METHANOL(3-(BENZO[D][1,3]DIOXOL-5-YL)ISOXAZOL-5-YL)METHANOLMFCD06738495[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol[3-(2H-1,3-Benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol(3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)isoxazol-5-yl)methan-1-ol[3-(1,3-Benzodioxol-5-yl)-5-isoxazolyl]methanolCHEMBL4078850SCHEMBL17055774
Show more names
5-Isoxazolemethanol, 3-(1,3-benzodioxol-5-yl)-
DTXSID50409463SBB013784STK785552AKOS005621325AB27237ST087404CS-0341091[3-(1,3-benzodioxol-5-yl)isoxazol-5-yl]methanol
Database identifiers
- CAS
438565-34-5- PubChem CID
- 5200460
- DTXSID
DTXSID50409463- ChEMBL
CHEMBL4078850
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 427.1 · 427.1±45.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- pka
- 13.3 · 13.30±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海智乾生物科技有限公司[email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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