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7-Furyl-3-methyl-4-chromanone

HCID 22175166
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Basic information

Standard SMILES
CC1COc2cc(-c3ccco3)ccc2C1=O
InChIKey
DVKWJLMEZRXDHI-UHFFFAOYSA-N
Molecular formula
C14H12O3
Average molar mass
228.24 g/mol

Names & identifiers

Preferred name
7-Furyl-3-methyl-4-chromanone
IUPAC
7-(furan-2-yl)-3-methyl-2,3-dihydrochromen-4-one

Names & synonyms

SCHEMBL47044657-furyl-3-methyl-4-chromanoneDVKWJLMEZRXDHI-UHFFFAOYSA-N

Database identifiers

PubChem CID
22175166

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
302

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Related reactions

7 records
New reaction record
HRID 49437 reaction equation
HRID 49437As reactantuspto-grants-2004_03
HRID 277152 reaction equation
HRID 277152As reactantuspto-grants-2002_03
HRID 299486 reaction equation
HRID 299486As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 584715 reaction equation
HRID 584715As reactantuspto-grants-2005_08
HRID 1059669 reaction equation
HRID 1059669As reactantuspto-grants-2003_02
HRID 1797031 reaction equation
HRID 1797031As reactantuspto-grants-2006_04
HRID 2249339 reaction equation
HRID 2249339As reactantuspto-grants-2008_01

Compound notes

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