Methyl 3-(cyclopentylmethylene)-4-oxochroman-7-carboxylate

HCID 66722642
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Basic information

Standard SMILES
COC(=O)c1ccc2c(c1)OCC(=CC1CCCC1)C2=O
InChIKey
CRIOUYCZSLKPDG-UHFFFAOYSA-N
Molecular formula
C17H18O4
Average molar mass
286.32 g/mol

Names & identifiers

Preferred name
Methyl 3-(cyclopentylmethylene)-4-oxochroman-7-carboxylate
IUPAC
methyl 3-(cyclopentylmethylidene)-4-oxochromene-7-carboxylate

Names & synonyms

SCHEMBL551341CRIOUYCZSLKPDG-UHFFFAOYSA-Nmethyl 3-(cyclopentylmethylene)-4-oxochroman-7-carboxylate

Database identifiers

PubChem CID
66722642

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

Related reactions

3 records
New reaction record

Linked notes

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