5-ethenyl-2,2-dimethyl-4H-1,3-benzodioxin-4-one

HCID 11367706
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Basic information

Standard SMILES
C=Cc1cccc2c1C(=O)OC(C)(C)O2
InChIKey
NHXBRZTWAZLBKF-UHFFFAOYSA-N
Molecular formula
C12H12O3
Average molar mass
204.22 g/mol
Monoisotopic mass
204.07864424

Names & identifiers

Preferred name
5-ethenyl-2,2-dimethyl-4H-1,3-benzodioxin-4-one
IUPAC
5-ethenyl-2,2-dimethyl-1,3-benzodioxin-4-one

Names & synonyms

SCHEMBL4371605NHXBRZTWAZLBKF-UHFFFAOYSA-N5-ethenyl-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Database identifiers

PubChem CID
11367706
Nikkaji
J2.647.076E

Properties

Computed structural properties

XLogP
3
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Related reactions

8 records
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Compound notes

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