Basic information
- CAS
52216-99-6- Standard SMILES
O=C(O)/C=C/Cc1ccco1- InChIKey
JKZFRKHYUVIIFN-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734411
Names & identifiers
- Preferred name
- 3-Furfuracrylic acid
- IUPAC
- (E)-4-(furan-2-yl)but-2-enoic acid
- English name
- FURFURACRYLICACID
- Molecular formula
- C8H8O3
- Molecular weight
- 152.15
Names & synonyms
3-FURFURACRYLIC ACIDRefChem:1067875Acrylic acid, 3-furfuryl2-Furancrotonic acid2-Butenoic acid, 4-(2-furanyl)-NSC-11895569766-42-3BRN 1365758CN83JM63XLSCHEMBL11702714-(2-Furanyl)-2-butenoic acidNSC118955
Show more names
FURFURACRYLICACID3-Furfurylacrylic acid(E)-4-(furan-2-yl)but-2-enoic acid
NSC 118955(E)-4-(2-FURYL)-3-BUTENOIC ACID(3E)-4-(2-FURANYL)-3-BUTENOIC ACID(E)-4-(FURAN-2-YL)-3-BUTENOIC ACID3-BUTENOIC ACID, 4-(2-FURANYL)-, (3E)-52216-99-6
Database identifiers
- CAS
52216-99-6、69766-42-3- PubChem CID
- 6080366
- UNII
- CN83JM63XL
- Nikkaji
- J75.529J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 309.645 · 309.645±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.543 · 4.543±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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