Basic information
- CAS
3504-13-0- Standard SMILES
O=C(O)CCC(=O)OO- InChIKey
WBOQHFMXKCEWSQ-UHFFFAOYSA-N- Molecular formula
- C4H6O5
- Average molar mass
- 134.09 g/mol
- Monoisotopic mass
- 134.02152329
Names & identifiers
- Preferred name
- Monoperoxysuccinic acid
- IUPAC
- 4-hydroperoxy-4-oxobutanoic acid
- English name
- monoperoxysuccinic acid
- Molecular formula
- C4H6O5
- Molecular weight
- 134.09
Names & synonyms
Monoperoxysuccinic acid3504-13-04-hydroperoxy-4-oxobutanoic acid4-Peroxy-4-Oxobutanoic AcidEINECS 222-497-5J49FRB2SLSSCHEMBL388923-Carboxyperoxypropionic acidbeta-Carboxypropionyl peroxideSCHEMBL1537487DTXSID90188548WBOQHFMXKCEWSQ-UHFFFAOYSA-N
Show more names
3-Carboxypropaneperoxoic acid
Butanoic acid, 4-hydroperoxy-4-oxo-AKOS006377824NS00029763
Database identifiers
- CAS
3504-13-0- PubChem CID
- 77040
- DTXSID
DTXSID90188548- UNII
- J49FRB2SLS
- EC Number
- 222-497-5
- Nikkaji
- J216.157E
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 107 °C · 107°C
- Boiling point
- 167.16 °C · 167.16°C (rough estimate)
- Density
- 1.2521 · 1.2521 (rough estimate)
- refractive index
- 1.392 · 1.3920 (estimate)
Chemistry & industry
Suppliers2 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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