Methoxycarbonyloxy-acetic acid
Basic information
- CAS
42534-92-9- Standard SMILES
COC(=O)OCC(=O)O- InChIKey
WVYXTDTVVHJJKD-UHFFFAOYSA-N- Molecular formula
- C4H6O5
- Average molar mass
- 134.09 g/mol
- Monoisotopic mass
- 134.02152329
Names & identifiers
- Preferred name
- Methoxycarbonyloxy-acetic acid
- IUPAC
- 2-methoxycarbonyloxyacetic acid
- English name
- Methoxycarbonyloxy-acetic acid
- Molecular formula
- C4H6O5
- Molecular weight
- 134.09
Names & synonyms
METHOXYCARBONYLOXY-ACETIC ACID42534-92-9METHOXYCARBONYLOXY-ACETICACID2-methoxycarbonyloxyacetic acidSCHEMBL29951822DTXSID30652298AKOS006330195[(METHOXYCARBONYL)OXY]ACETIC ACIDAcetic acid, 2-[(methoxycarbonyl)oxy]-
Database identifiers
- CAS
42534-92-9- PubChem CID
- 29935547
- DTXSID
DTXSID30652298
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 227 · 227.0±23.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- pka
- 2 · 2+-.0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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