Basic information
- CAS
57543-44-9- Standard SMILES
COc1cccc2c1OC(C)C(C=O)=C2- InChIKey
AOTMXLVWJYFCEU-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 8-Methoxy-2-methyl-2H-1-benzopyran-3-carbaldehyde
- IUPAC
- 8-methoxy-2-methyl-2H-chromene-3-carbaldehyde
- English name
- 8-Methoxy-2-methyl-2H-1-benzopyran-3-carbaldehyde
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22
Names & synonyms
57543-44-98-Methoxy-2-methyl-2H-1-benzopyran-3-carbaldehydeDTXSID90973092RefChem:1074726DTXCID401400550BRN 12443918-Methoxy-2-methyl-2H-1-benzopyran-3-carboxaldehyde2H-1-BENZOPYRAN-3-CARBOXALDEHYDE, 8-METHOXY-2-METHYL-DB-296889
Database identifiers
- CAS
57543-44-9- PubChem CID
- 42432
- DTXSID
DTXSID90973092- Nikkaji
- J132.075K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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