2H-Pyran-2-one, 3-bromo-4-methoxy-6-methyl-
Basic information
- CAS
670-35-9- Standard SMILES
COc1cc(C)oc(=O)c1Br- InChIKey
XNYLQAXHTKTHOQ-UHFFFAOYSA-N- Molecular formula
- C7H7BrO3
- Average molar mass
- 219.03 g/mol
- Monoisotopic mass
- 217.95786
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, 3-bromo-4-methoxy-6-methyl-
- IUPAC
- 3-bromo-4-methoxy-6-methylpyran-2-one
- English name
- 3-Bromo-4-methoxy-6-methyl-2-pyrone
- Molecular formula
- C7H7BrO3
- Molecular weight
- 219.03
Names & synonyms
670-35-92H-Pyran-2-one, 3-bromo-4-methoxy-6-methyl-DTXSID90337190RefChem:268865DTXCID30288278XNYLQAXHTKTHOQ-UHFFFAOYSA-N3-Bromo-4-methoxy-6-methyl-2H-pyran-2-one3-Bromo-4-methoxy-6-methyl-2-pyrone3-bromo-4-methoxy-6-methylpyran-2-oneAAA67035G536633-Bromo-4-methoxy-6-methyl-2H-pyran-2-one #
Show more names
EN300-7471620Z2932602614
Database identifiers
- CAS
670-35-9- PubChem CID
- 539770
- DTXSID
DTXSID90337190- EC Number
- 876-924-0
- Nikkaji
- J102.695J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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