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9H-Xanthene-9-carboxylic acid butyryl-amide

HCID 54214830
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCC(=O)NC(=O)C1c2ccccc2Oc2ccccc21
InChIKey
PYKYGFOPCPHWFX-UHFFFAOYSA-N
Molecular formula
C18H17NO3
Average molar mass
295.3 g/mol

Names & identifiers

Preferred name
9H-Xanthene-9-carboxylic acid butyryl-amide
IUPAC
N-butanoyl-9H-xanthene-9-carboxamide

Names & synonyms

SCHEMBL6867060PYKYGFOPCPHWFX-UHFFFAOYSA-N9H-Xanthene-9-carboxylic acid butyryl-amide

Database identifiers

PubChem CID
54214830

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
401

Related reactions

4 records
New reaction record
HRID 392718 reaction equation
HRID 392718As productuspto-grants-2004_10
HRID 948651 reaction equation
HRID 948651As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 991219 reaction equation
HRID 991219As productuspto-grants-2002_10
HRID 1358422 reaction equation
HRID 1358422As productuspto-grants-2003_07

Compound notes

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