6,7-Dihydro-1-(hydroxymethyl)-4,4-dimethyl-5(4H)-isobenzofuranone

HCID 15098643

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Basic information

CAS: 137644-59-8
Standard SMILES: CC1(C)C(=O)CCc2c1coc2CO
InChIKey: DVUVIBIZYITDTI-UHFFFAOYSA-N
Molecular formula: C11H14O3
Average molar mass: 194.23 g/mol
Monoisotopic mass: 194.0942943

Names & identifiers

Preferred name: 6,7-Dihydro-1-(hydroxymethyl)-4,4-dimethyl-5(4H)-isobenzofuranone
IUPAC: 1-(hydroxymethyl)-4,4-dimethyl-6,7-dihydro-2-benzofuran-5-one

Names & synonyms

DTXSID3011679836,7-Dihydro-1-(hydroxymethyl)-4,4-dimethyl-5(4H)-isobenzofuranone137644-59-81-(Hydroxymethyl)-4,4-dimethyl-6,7-dihydro-2-benzofuran-5(4H)-one

Database identifiers

CAS: 137644-59-8
PubChem CID: 15098643
DTXSID: DTXSID301167983

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 247

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