Basic information
- Standard SMILES
COC(=O)C1=COC(OC(=O)NC(=O)CCl)C2C1CC1OC12C- InChIKey
IBPYFXDEYUOOFF-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO7
- Average molar mass
- 345.73 g/mol
- Monoisotopic mass
- 345.0615295
Names & identifiers
- Preferred name
- Methyl 10-[(2-chloroacetyl)carbamoyloxy]-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
- IUPAC
- methyl 10-[(2-chloroacetyl)carbamoyloxy]-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
Database identifiers
- PubChem CID
- 20652186
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 592
Related reactions
1 records
Compound notes
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