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(RS)-2-(2-buten-1-yl)-6-methyl-1-indanone

HCID 54032350
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC=CCC1Cc2ccc(C)cc2C1=O
InChIKey
LGMKWGLTRWSRMR-UHFFFAOYSA-N
Molecular formula
C14H16O
Average molar mass
200.28 g/mol

Names & identifiers

Preferred name
(RS)-2-(2-buten-1-yl)-6-methyl-1-indanone
IUPAC
2-but-2-enyl-6-methyl-2,3-dihydroinden-1-one

Names & synonyms

SCHEMBL8595392LGMKWGLTRWSRMR-UHFFFAOYSA-N(RS)-2-(2-buten-1-yl)-6-methyl-1-indanone

Database identifiers

PubChem CID
54032350

Properties

Computed structural propertiesFilling in

XLogP
3.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
267

Related reactions

3 records
New reaction record
HRID 264392 reaction equation
HRID 264392As productuspto-grants-1997_07
HRID 264393 reaction equation
HRID 264393As reactantuspto-grants-1997_07
HRID 693087 reaction equation
HRID 693087As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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