3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester
Basic information
- CAS
20416-08-4- Standard SMILES
COC(=O)c1coc(Cc2ccccc2)c1- InChIKey
DGEHQARARXBTFY-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester
- IUPAC
- methyl 5-benzylfuran-3-carboxylate
- English name
- methyl 5-benzyl-3-furoate
- Molecular formula
- C13H12O3
- Molecular weight
- 216.23
Names & synonyms
20416-08-43-Furancarboxylic acid, 5-(phenylmethyl)-, methyl esterEINECS 243-801-2DTXSID1066607RefChem:502110DTXCID3036286Methyl 5-benzyl-3-furoatemethyl 5-benzylfuran-3-carboxylateDGEHQARARXBTFY-UHFFFAOYSA-NDB-320025NS000266225-Benzylfuran-3-carboxylic acid methyl ester
Show more names
5-(Phenylmethyl)-3-furancarboxylic acid methyl ester
Database identifiers
- CAS
20416-08-4- PubChem CID
- 88529
- DTXSID
DTXSID1066607- EC Number
- 243-801-2
- Nikkaji
- J280.589H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- LogP
- 2.812 · 2.812 (est)
- EPA Substance Registry System
- 3 · 3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester (20416-08-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Furancarboxylic acid, 5-(phenylmethyl)-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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