3-Butyl-4-methoxycyclobut-3-ene-1,2-dione

HCID 13658705

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Basic information

CAS: 102683-52-3
Standard SMILES: CCCCc1c(OC)c(=O)c1=O
InChIKey: HQYVBGIRQSCYGF-UHFFFAOYSA-N
Molecular formula: C9H12O3
Average molar mass: 168.19 g/mol
Monoisotopic mass: 168.07864424

Names & identifiers

Preferred name: 3-Butyl-4-methoxycyclobut-3-ene-1,2-dione
IUPAC: 3-butyl-4-methoxycyclobut-3-ene-1,2-dione

Names & synonyms

102683-52-33-Butyl-4-methoxycyclobut-3-ene-1,2-dioneDTXSID80546012RefChem:277950DTXCID904967963-Cyclobutene-1,2-dione, 3-butyl-4-methoxy-SCHEMBL7145004HQYVBGIRQSCYGF-UHFFFAOYSA-N3-Butyl4-methoxy-3-cyclobutene-1,2-dione3-Butyl-4-methoxy-3-cyclobutene-1,2-dione

Database identifiers

CAS: 102683-52-3
PubChem CID: 13658705
DTXSID: DTXSID80546012

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 250

Related reactions

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HRID 1058857As productuspto-grants-2003_02

Compound notes

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