1,3-Dioxepin

HCID 136142

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 291-92-9
Standard SMILES: C1=COCOC=C1
InChIKey: GTPWYANJPNGAAY-UHFFFAOYSA-N
Molecular formula: C5H6O2
Average molar mass: 98.1 g/mol
Monoisotopic mass: 98.03677943

Names & identifiers

Preferred name: 1,3-Dioxepin
IUPAC: 1,3-dioxepine

Names & synonyms

1,3-Dioxepin291-92-9DTXSID70183354RefChem:218865DTXCID801058451,3-dioxepine2H-1,3-dioxepineSCHEMBL362510SCHEMBL830594SCHEMBL2125972SCHEMBL8842336SCHEMBL9820252

Database identifiers

CAS: 291-92-9
PubChem CID: 136142
DTXSID: DTXSID70183354
Nikkaji: J2.821.717J

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 82.3

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…