(3E)-3-(Ethoxycarbonyl)-4-(5-ethyl-2-furyl)but-3-enoic acid

HCID 66755580
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Basic information

Standard SMILES
CCOC(=O)/C(=C/c1ccc(CC)o1)CC(=O)O
InChIKey
DWEKQCKZTXAXTG-VQHVLOKHSA-N
Molecular formula
C13H16O5
Average molar mass
252.26 g/mol

Names & identifiers

Preferred name
(3E)-3-(Ethoxycarbonyl)-4-(5-ethyl-2-furyl)but-3-enoic acid
IUPAC
(E)-3-ethoxycarbonyl-4-(5-ethylfuran-2-yl)but-3-enoic acid

Names & synonyms

SCHEMBL642420DWEKQCKZTXAXTG-VQHVLOKHSA-N(3E)-3-(Ethoxycarbonyl)-4-(5-ethyl-2-furyl)but-3-enoic acid

Database identifiers

PubChem CID
66755580

Properties

Computed structural properties

XLogP
2
Topological polar surface area
76.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
18

Related reactions

2 records
New reaction record

Linked notes

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