Basic information
- CAS
24313-22-2- Standard SMILES
O=C(O)c1coc(Cc2ccccc2)c1- InChIKey
GBFQMYZCARWIAY-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Names & identifiers
- Preferred name
- 3-Furancarboxylic acid, 5-(phenylmethyl)-
- IUPAC
- 5-benzylfuran-3-carboxylic acid
Names & synonyms
24313-22-25-Benzyl-3-furoic acid3-FURANCARBOXYLIC ACID, 5-(PHENYLMETHYL)-BRN 13445265-(Phenylmethyl)-3-furancarboxylic acidDTXSID901790575-18-06-00525 (Beilstein Handbook Reference)RefChem:279612DTXCID201015485-benzylfuran-3-carboxylic acid3-Furancarboxylic acid,5-(phenylmethyl)-SCHEMBL10649926
Show more names
EN300-9429279
Database identifiers
- CAS
24313-22-2- PubChem CID
- 32284
- DTXSID
DTXSID90179057
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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