7-(1,2-Dihydroxyethoxy)-4-methyl-2H-1-benzopyran-2-one
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Basic information
- CAS
7471-79-6- Standard SMILES
Cc1cc(=O)oc2cc(OC(O)CO)ccc12- InChIKey
AGDPEXUBUXVEBO-UHFFFAOYSA-N- Molecular formula
- C12H12O5
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.06847348
Names & identifiers
- Preferred name
- 7-(1,2-Dihydroxyethoxy)-4-methyl-2H-1-benzopyran-2-one
- IUPAC
- 7-(1,2-dihydroxyethoxy)-4-methylchromen-2-one
Names & synonyms
7471-79-6NSC4012847-(1,2-Dihydroxyethoxy)-4-methyl-2H-1-benzopyran-2-oneDTXSID20322458NSC-401284
Database identifiers
- CAS
7471-79-6- PubChem CID
- 344403
- DTXSID
DTXSID20322458
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
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Compound notes
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