Basic information
- CAS
80563-95-7- Standard SMILES
COC(=O)CC1(C)OCCS1- InChIKey
IPBJFXHDCTZHTJ-UHFFFAOYSA-N- Molecular formula
- C7H12O3S
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.05071541
Names & identifiers
- Preferred name
- 1,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl ester
- IUPAC
- methyl 2-(2-methyl-1,3-oxathiolan-2-yl)acetate
Names & synonyms
80563-95-71,3-Oxathiolane-2-acetic acid, 2-methyl-, methyl esterDTXSID50338300RefChem:219394DTXCID30289386Methyl (2-methyl-1,3-oxathiolan-2-yl)acetateIPBJFXHDCTZHTJ-UHFFFAOYSA-NMethyl (2-methyl-1,3-oxathiolan-2-yl)acetate #2-Methyl-1,3-oxathiolane-2-acetic acid methyl ester
Database identifiers
- CAS
80563-95-7- PubChem CID
- 548207
- DTXSID
DTXSID50338300
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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