Basic information
- CAS
1107609-40-4- Standard SMILES
O=C1c2ccc(Cl)cc2OCC1(CO)CO- InChIKey
CRFQZANJRSZZBM-UHFFFAOYSA-N- Molecular formula
- C11H11ClO4
- Average molar mass
- 242.65 g/mol
- Monoisotopic mass
- 242.0345865
Names & identifiers
- Preferred name
- 7-chloro-3,3-bis(hydroxymethyl)-2H-chromen-4-one
- IUPAC
- 7-chloro-3,3-bis(hydroxymethyl)-2H-chromen-4-one
Names & synonyms
1107609-40-4DTXSID2011685907-Chloro-2,3-dihydro-3,3-bis(hydroxymethyl)-4H-1-benzopyran-4-one7-Chloro-3,3-bis(hydroxymethyl)-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
1107609-40-4- PubChem CID
- 102026558
- DTXSID
DTXSID201168590- Nikkaji
- J2.665.736I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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