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4-Hydroxy-6-methoxy-benzo[h]chromen-2-one

HCID 54705476
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

SCHEMBL3587194YRUGJKPIGGHLMA-UHFFFAOYSA-N4-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

Related reactions

3 records
New reaction record
HRID 168765 reaction equation
HRID 168765As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1713718 reaction equation
HRID 1713718As productuspto-grants-2010_09
HRID 1727278 reaction equation
HRID 1727278As productuspto-grants-2009_02

Compound notes

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