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4-oxo-N-propan-2-ylchromene-3-carboxamide

HCID 21828259
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Basic information

Standard SMILES
CC(C)NC(=O)c1coc2ccccc2c1=O
InChIKey
VPNACBUITYDLOW-UHFFFAOYSA-N
Molecular formula
C13H13NO3
Average molar mass
231.25 g/mol

Names & identifiers

Preferred name
4-oxo-N-propan-2-ylchromene-3-carboxamide
IUPAC
4-oxo-N-propan-2-ylchromene-3-carboxamide

Names & synonyms

SCHEMBL11877461

Database identifiers

PubChem CID
21828259

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
360

Related reactions

1 records
New reaction record
HRID 160653 reaction equation
HRID 160653As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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