Basic information
- CAS
88617-69-0- Standard SMILES
COC(=O)c1c(NC(C)=O)cc2c(c1OC)OCO2- InChIKey
FBODRHIKSLGRQR-UHFFFAOYSA-N- Molecular formula
- C12H13NO6
- Average molar mass
- 267.23 g/mol
- Monoisotopic mass
- 267.07428713
Names & identifiers
- Preferred name
- Methyl 6-(acetylamino)-4-methoxy-1,3-benzodioxole-5-carboxylate
- IUPAC
- methyl 6-acetamido-4-methoxy-1,3-benzodioxole-5-carboxylate
Names & synonyms
DTXSID901174788Methyl 6-(acetylamino)-4-methoxy-1,3-benzodioxole-5-carboxylateMethyl 6-acetamido-4-methoxy-2H-1,3-benzodioxole-5-carboxylate88617-69-0
Database identifiers
- CAS
88617-69-0- PubChem CID
- 165351663
- DTXSID
DTXSID901174788
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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