Basic information
- CAS
53183-53-2- Standard SMILES
Cc1cc(=O)oc2cc(C=O)ccc12- InChIKey
UBTIVCZWNKMKAP-UHFFFAOYSA-N- Molecular formula
- C11H8O3
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.04734411
Names & identifiers
- Preferred name
- 4-Methyl-2-oxo-2H-chromene-7-carbaldehyde
- IUPAC
- 4-methyl-2-oxochromene-7-carbaldehyde
- English name
- 4-Methyl-2-oxo-2 H-chromene-7-carbaldehyde
- Molecular formula
- C11H8O3
- Molecular weight
- 188.18
Names & synonyms
4-Methyl-2-oxo-2H-chromene-7-carbaldehyde53183-53-24-methyl-2-oxochromene-7-carbaldehyde4-methyl-2-oxo-2 h-chromene-7-carbaldehydeMFCD00582536Coumarine, 7-formyl-4-methyl-SCHEMBL19309434DTXSID90344127UBTIVCZWNKMKAP-UHFFFAOYSA-NAKOS0006686434-methyl-2-oxo-chromene-7-carbaldehydeBS-37977
Show more names
CHEMBRDG-BB 52559642H-1-Benzopyran-7-carboxaldehyde, 4-methyl-2-oxo-4-methyl-2-oxo-2H-chromene-7-carbaldehyde(SALTDATA: FREE)
DB-306021CS-03198834-Methyl-2-oxo-2 H -chromene-7-carbaldehyde4-Methyl-2-oxo-2H-chromene-7-carbaldehyde #G853574-Methyl-2-oxo-2H-1-benzopyran-7-carbaldehydeF031437
Database identifiers
- CAS
53183-53-2- PubChem CID
- 594580
- DTXSID
DTXSID90344127
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 368.9 · 368.9±37.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- HS Code
- 2932990090 · 2932990090
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
- hs_code
- 2932990090
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
凯试（上海）科技有限公司021-50135380 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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