Basic information
- CAS
303064-47-3- Standard SMILES
Cc1cc(COc2ccccc2)oc1C(=O)O- InChIKey
AJUGKZCPMRYOAV-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- 3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid
- IUPAC
- 3-methyl-5-(phenoxymethyl)furan-2-carboxylic acid
- English name
- CHEMBRDG-BB 6559723
- Molecular formula
- C13H12O4
- Molecular weight
- 232.23
Names & synonyms
303064-47-33-methyl-5-(phenoxymethyl)furan-2-carboxylic acidDTXSID50354484RefChem:280945DTXCID203055443-METHYL-5-(PHENOXYMETHYL)-2-FUROIC ACIDMFCD004696992-furancarboxylic acid, 3-methyl-5-(phenoxymethyl)-3-Methyl-5-phenoxymethyl-furan-2-carboxylic acidOprea1_404225Oprea1_635965MLS001204971
Show more names
CHEMBRDG-BB 65597233-methyl-5-(phenoxymethyl)-2-furoic acid(SALTDATA: FREE)
SCHEMBL4748257CHEMBL1371571HMS2828D19ALBB-023035SBB071526AKOS000641906SB61327BS-35907
Database identifiers
- CAS
303064-47-3- PubChem CID
- 774802
- DTXSID
DTXSID50354484- ChEMBL
CHEMBL1371571
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 395.3 · 395.3±42.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.21(Predicted)
- form
- solid
- UNSPSC Code
- 12352106 · 12352106
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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