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Compound
4-Hydroxy-6-methoxy-benzo[h]chromen-2-one
HCID
54705476
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
COc1cc2c(O)cc(=O)oc2c2ccccc12
InChIKey
YRUGJKPIGGHLMA-UHFFFAOYSA-N
Molecular formula
C14H10O4
Average molar mass
242.23 g/mol
Names & identifiers
Preferred name
4-Hydroxy-6-methoxy-benzo[h]chromen-2-one
IUPAC
4-hydroxy-6-methoxybenzo[h]chromen-2-one
Names & synonyms
SCHEMBL3587194
YRUGJKPIGGHLMA-UHFFFAOYSA-N
4-Hydroxy-6-methoxy-benzo[h]chromen-2-one
Database identifiers
PubChem CID
54705476
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Formal charge
0
Complexity
376
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
168765
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
1713718
As product
uspto-grants-2010_09
HRID
1727278
As product
uspto-grants-2009_02
Compound notes
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