4-(p-Isopropylbenzylidene)phthalide-6-carboxylic acid

HCID 70633682
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Basic information

Standard SMILES
CC(C)c1ccc(C=C2C=C(C(=O)O)C=C3C(=O)OCC23)cc1
InChIKey
LXPNWLYFDUHZGD-UHFFFAOYSA-N
Molecular formula
C19H18O4
Average molar mass
310.3 g/mol
Monoisotopic mass
310.12050905

Names & identifiers

Preferred name
4-(p-Isopropylbenzylidene)phthalide-6-carboxylic acid
IUPAC
3-oxo-7-[(4-propan-2-ylphenyl)methylidene]-1,7a-dihydro-2-benzofuran-5-carboxylic acid

Names & synonyms

SCHEMBL11681671LXPNWLYFDUHZGD-UHFFFAOYSA-N4-(p-isopropylbenzylidene)phthalide-6-carboxylic acid

Database identifiers

PubChem CID
70633682

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
23

Related reactions

1 records
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Compound notes

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