Basic information
- CAS
6332-92-9- Standard SMILES
N#CC(=Cc1ccco1)C(=O)O- InChIKey
ZQEYJNCEFQYAPJ-UHFFFAOYSA-N- Molecular formula
- C8H5NO3
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.02694302
Names & identifiers
- Preferred name
- 2-Cyano-3-(furan-2-yl)prop-2-enoic acid
- IUPAC
- 2-cyano-3-(furan-2-yl)prop-2-enoic acid
- English name
- 2-Cyano-3-furan-2-yl-acrylic acid
- Molecular formula
- C8H5NO3
- Molecular weight
- 163.13
Names & synonyms
2-cyano-3-(furan-2-yl)prop-2-enoic acid6332-92-9furanylcyanoacrylic acidSCHEMBL9116883YCA40329AKOS015991542LE-07162-cyano-3-(2-furyl)prop-2-enoic acidRARECHEM AL BE 11812-CYANO-3-(2-FURYL)ACRYLIC ACID2-Cyano-3-furan-2-yl-acrylic acid2-Cyano-3-(2-furanyl)-2-propenoic acid
Show more names
2-Propenoic acid, 2-cyano-3-(2-furanyl)-
Database identifiers
- CAS
6332-92-9- PubChem CID
- 236347
- EC Number
- 880-977-5
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 222 °C · 222 °C
- Boiling point
- 311.8 · 311.8±32.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 1.35 · 1.35±0.19(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
天津康利欣科技有限公司18622939839 · [email protected]
上海锲诺医药科技有限公司021-021-51557188 15901710861 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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