(2-Oxo-benzooxazol-3-YL)-acetic acid 1-methyl-heptyl ester
Basic information
- CAS
883798-89-8- Standard SMILES
CCCCCCC(C)OC(=O)Cn1c(=O)oc2ccccc21- InChIKey
RUNJIFIPXASAGV-UHFFFAOYSA-N- Molecular formula
- C17H23NO4
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16270821
Names & identifiers
- Preferred name
- (2-Oxo-benzooxazol-3-YL)-acetic acid 1-methyl-heptyl ester
- IUPAC
- octan-2-yl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
- English name
- (2-Oxo-benzooxazol-3-yl)-acetic acid 1-methyl-heptyl ester
- Molecular weight
- 0
Names & synonyms
AKOS024342663(2-OXO-BENZOOXAZOL-3-YL)-ACETIC ACID 1-METHYL-HEPTYL ESTER
Database identifiers
- CAS
883798-89-8- PubChem CID
- 4348181
- EC Number
- 151-753-8
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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