Basic information
- CAS
1234351-88-2- Standard SMILES
COc1cccc(/C=C2\Oc3cc(O)ccc3C2=O)c1- InChIKey
XWRCMPMRAXNWBC-NVNXTCNLSA-N- Molecular formula
- C16H12O4
- Average molar mass
- 268.26 g/mol
- Monoisotopic mass
- 268.07355886
Names & identifiers
- Preferred name
- (2Z)-6-hydroxy-2-(3-methoxybenzylidene)-1-benzofuran-3(2H)-one
- IUPAC
- (2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
- English name
- AKOS BBS-00006126
- Molecular formula
- C16H12O4
- Molecular weight
- 268.26
Names & synonyms
(2Z)-6-hydroxy-2-(3-methoxybenzylidene)-1-benzofuran-3(2H)-one1234351-88-2(Z)-6-hydroxy-2-(3-methoxybenzylidene)benzofuran-3(2H)-one(2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one(2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-oneMFCD041467773(2H)-benzofuranone, 6-hydroxy-2-[(3-methoxyphenyl)methylene]-, (2Z)-6-hydroxy-2-[(3-methoxyphenyl)methylene]benzo[b]furan-3-one6-hydroxy-2-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one210360-97-7SCHEMBL6959091CHEMBL1171363
Show more names
AKOS BBS-00006126
ALBB-017563NSC816230SBB042250STK923240AKOS000270940EBC-612205NSC-816230LS-05759
Database identifiers
- CAS
1234351-88-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 503.5 · 503.5±50.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 7.54 · 7.54±0.20(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers6 total
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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