Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-
Basic information
- CAS
105315-55-7- Standard SMILES
CN(C(=O)Oc1cccc2c1OC(C)(C)C2)C(=O)C(=O)Oc1ccc(C(=O)O)cc1- InChIKey
VGFJUNDGAXYGNL-UHFFFAOYSA-N- Molecular formula
- C21H19NO8
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.11106656
Names & identifiers
- Preferred name
- Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-
- IUPAC
- 4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoacetyl]oxybenzoic acid
Names & synonyms
105315-55-7Benzoic acid, 4-((((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)oxoacetyl)oxy)-DTXSID90147079RefChem:327270DTXCID70695704-({[{[(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino](oxo)acetyl}oxy)benzoic acid
Database identifiers
- CAS
105315-55-7- PubChem CID
- 3064693
- DTXSID
DTXSID90147079
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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