Carbamic acid, methylnitroso-, 2,2-dimethyl-3-oxo-2,3-dihydro-7-benzofuranyl ester
Basic information
- CAS
78164-60-0- Standard SMILES
CN(N=O)C(=O)Oc1cccc2c1OC(C)(C)C2=O- InChIKey
YNLDDEQZXVAMSC-UHFFFAOYSA-N- Molecular formula
- C12H12N2O5
- Average molar mass
- 264.23 g/mol
- Monoisotopic mass
- 264.07462149
Names & identifiers
- Preferred name
- Carbamic acid, methylnitroso-, 2,2-dimethyl-3-oxo-2,3-dihydro-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-methyl-N-nitrosocarbamate
Names & synonyms
Carbamic acid, methylnitroso-, 2,2-dimethyl-3-oxo-2,3-dihydro-7-benzofuranyl ester78164-60-03-KetonitrosocarbofuranCarbamic acid, methylnitroso-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl esterDTXSID102288142,2-Dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl methyl(nitroso)carbamate
Database identifiers
- CAS
78164-60-0- PubChem CID
- 54133
- DTXSID
DTXSID10228814- Nikkaji
- J69.356A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…