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ethyl 3,4-dihydro-6-(2-propenyloxy)-2H-1-benzopyran-2-carboxylate

HCID 20211024
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Basic information

Standard SMILES
C=CCOc1ccc2c(c1)CCC(C(=O)OCC)O2
InChIKey
QZALKCKUFHIUJL-UHFFFAOYSA-N
Molecular formula
C15H18O4
Average molar mass
262.3 g/mol

Names & identifiers

Preferred name
ethyl 3,4-dihydro-6-(2-propenyloxy)-2H-1-benzopyran-2-carboxylate
IUPAC
ethyl 6-prop-2-enoxy-3,4-dihydro-2H-chromene-2-carboxylate

Names & synonyms

SCHEMBL10508089QZALKCKUFHIUJL-UHFFFAOYSA-Nethyl 3,4-dihydro-6-(2-propenyloxy)-2H-1-benzopyran-2-carboxylate

Database identifiers

PubChem CID
20211024

Properties

Computed structural propertiesFilling in

XLogP
3.2
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
315

Related reactions

2 records
New reaction record
HRID 1559641 reaction equation
HRID 1559641As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1906896 reaction equation
HRID 1906896As productuspto-grants-1987_03

Compound notes

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