Basic information
- CAS
696649-78-2- Standard SMILES
Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)O- InChIKey
IQPSSJPXQJHQDT-UHFFFAOYSA-N- Molecular formula
- C14H12O5
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.06847348
Names & identifiers
- Preferred name
- 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid
- IUPAC
- 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acid
Names & synonyms
696649-78-25-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxylic acidDTXSID60358498RefChem:299295DTXCID303095535-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furoic acid5-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-methylfuran-3-carboxylic acidMLS000064016SMR0000770155-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-carboxylic acidcid_900795CHEMBL1610429
Show more names
BDBM39027HMS2466H04MFCD04114006SBB013174STK661875AKOS001744562CS-0322612AH-487/42642683
Database identifiers
- CAS
696649-78-2- PubChem CID
- 900795
- DTXSID
DTXSID60358498- ChEMBL
CHEMBL1610429
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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