Carbamic acid, methylnitroso-, 2,2-dimethyl-3-hydroxy-2,3-dihydro-7-benzofuranyl ester
Basic information
- CAS
100836-60-0- Standard SMILES
CN(N=O)C(=O)Oc1cccc2c1OC(C)(C)C2O- InChIKey
ITGRYWCLWMCIME-UHFFFAOYSA-N- Molecular formula
- C12H14N2O5
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.09027155
Names & identifiers
- Preferred name
- Carbamic acid, methylnitroso-, 2,2-dimethyl-3-hydroxy-2,3-dihydro-7-benzofuranyl ester
- IUPAC
- (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-nitrosocarbamate
Names & synonyms
100836-60-03-HydroxynitrosocarbofuranCarbamic acid, methylnitroso-, 2,2-dimethyl-3-hydroxy-2,3-dihydro-7-benzofuranyl esterCarbamic acid, methylnitroso-, 2,3-dihydro-2,2-dimethyl-3-hydroxy-7-benzofuranyl esterDTXSID209057803-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl(nitroso)carbamate
Database identifiers
- CAS
100836-60-0- PubChem CID
- 58046
- DTXSID
DTXSID20905780- Nikkaji
- J69.355C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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