3-(3-Methyl-benzyloxy)-phthalic acid

HCID 66906397
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Basic information

Standard SMILES
Cc1cccc(COc2cccc(C(=O)O)c2C(=O)O)c1
InChIKey
LKZPNVWDYGTPJY-UHFFFAOYSA-N
Molecular formula
C16H14O5
Average molar mass
286.28 g/mol
Monoisotopic mass
286.08412354

Names & identifiers

Preferred name
3-(3-Methyl-benzyloxy)-phthalic acid
IUPAC
3-[(3-methylphenyl)methoxy]phthalic acid

Names & synonyms

SCHEMBL1097268LKZPNVWDYGTPJY-UHFFFAOYSA-N3-(3-methyl-benzyloxy)-phthalic acid

Database identifiers

PubChem CID
66906397

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
83.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
21

Related reactions

6 records
New reaction record

Compound notes

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