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Ethyl 3-(oxolan-3-yl)prop-2-enoate

HCID 76540953
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
766539-72-4
Standard SMILES
CCOC(=O)C=CC1CCOC1
InChIKey
BACHKFAFTCVKGP-UHFFFAOYSA-N
Molecular formula
C9H14O3
Average molar mass
170.21 g/mol
Monoisotopic mass
170.09429431

Names & identifiers

Preferred name
Ethyl 3-(oxolan-3-yl)prop-2-enoate
IUPAC
ethyl 3-(oxolan-3-yl)prop-2-enoate

Names & synonyms

DTXSID401262811Ethyl 3-(oxolan-3-yl)prop-2-enoateEthyl 3-(tetrahydro-3-furanyl)-2-propenoate766539-72-4

Database identifiers

CAS
766539-72-4
PubChem CID
76540953
DTXSID
DTXSID401262811

Properties

Computed structural properties

XLogP
1
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
175

Related reactions

1 records
New reaction record
HRID 309424 reaction equation
HRID 309424As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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