Furan-3-carbamic acid, tetrahydro-5,5-dimethyl-2-oxo-, ethyl ester

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Basic information

CAS: 77694-25-8
Standard SMILES: CCOC(=O)NC1CC(C)(C)OC1=O
InChIKey: GCVNQDGAJHEDJP-UHFFFAOYSA-N
Molecular formula: C9H15NO4
Average molar mass: 201.22 g/mol
Monoisotopic mass: 201.10010796

Names & identifiers

Preferred name: Furan-3-carbamic acid, tetrahydro-5,5-dimethyl-2-oxo-, ethyl ester
IUPAC: ethyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate

Names & synonyms

77694-25-8FURAN-3-CARBAMIC ACID, TETRAHYDRO-5,5-DIMETHYL-2-OXO-, ETHYL ESTERRefChem:1085606ethyl (5,5-dimethyl-2-oxotetrahydrofuran-3-yl)carbamateBRN 55236825,5-Dimethyl-2-oxotetrahydrofuran-3-carbamic acid ethyl esterDTXSID80998890Ethyl hydrogen (5,5-dimethyl-2-oxooxolan-3-yl)carbonimidate

Database identifiers

CAS: 77694-25-8
PubChem CID: 53715
DTXSID: DTXSID80998890
Nikkaji: J75.469B

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 249

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Compound notes

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