Basic information
- CAS
23598-65-4- Standard SMILES
C#CCOCC1CN(c2ccc(C(=O)OCC)cc2)C(=O)O1- InChIKey
IFIDAWHXNBSEON-UHFFFAOYSA-N- Molecular formula
- C16H17NO5
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.11067264
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester
- IUPAC
- ethyl 4-[2-oxo-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]benzoate
- English name
- 4-[2-Oxo-5-[(2-propynyloxy)methyl]oxazolidin-3-yl]benzoic acid ethyl ester
- Molecular formula
- C16H17NO5
- Molecular weight
- 303.31
Names & synonyms
23598-65-4BRN 05720752-Oxazolidinone, 3-(p-ethoxycarbonylphenyl)-5-(2-propynyloxymethyl)-BENZOIC ACID, 4-(2-OXO-5-(2-PROPYNYLOXYMETHYL)-3-OXAZOLIDINYL)-, ETHYL ESTERRefChem:327421DTXSID809464124-[2-Oxo-5-[(2-propynyloxy)methyl]oxazolidin-3-yl]benzoic acid ethyl esterEthyl 4-(2-oxo-5-{[(prop-2-yn-1-yl)oxy]methyl}-1,3-oxazolidin-3-yl)benzoateBenzoic acid, 4-[2-oxo-5-[(2-propyn-1-yloxy)methyl]-3-oxazolidinyl]-, ethyl ester
Database identifiers
- CAS
23598-65-4- PubChem CID
- 32019
- DTXSID
DTXSID80946412- Nikkaji
- J42.033F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Boiling point
- 431 · 431.0±25.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- -2.93 · -2.93±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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