Basic information
- CAS
4743-82-2- Standard SMILES
CC(=O)C=CC(=O)O- InChIKey
XGTKSWVCNVUVHG-UHFFFAOYSA-N- Molecular formula
- C5H6O3
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.03169405
Names & identifiers
- Preferred name
- Acetyl acrylic acid
- IUPAC
- 4-oxopent-2-enoic acid
Names & synonyms
MFCD00014016Acetyl acrylic acid(E)-4-OXO-PENT-2-ENOIC ACIDoxopentenoic acid2833-21-84-Oxopentenoic acidSCHEMBL106343orb3218187SCHEMBL9771057XGTKSWVCNVUVHG-UHFFFAOYSA-NDTXSID001370856AKOS028108479
Show more names
DB-022160NS00045574F920375
Database identifiers
- CAS
4743-82-2- PubChem CID
- 107587
- DTXSID
DTXSID001370856
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 135
Related reactions
1 records
Compound notes
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