trans-1-(5-Ethyl-2-furanyl)-1,2,3,4-tetrahydro-6,7-methylenedioxy-naphthalene-2-carboxylic acid

HCID 22869412
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Basic information

Standard SMILES
CCc1ccc([C@@H]2c3cc4c(cc3CC[C@H]2C(=O)O)OCO4)o1
InChIKey
AADDVOKFSPNUSV-PXAZEXFGSA-N
Molecular formula
C18H18O5
Average molar mass
314.3 g/mol

Names & identifiers

Preferred name
trans-1-(5-Ethyl-2-furanyl)-1,2,3,4-tetrahydro-6,7-methylenedioxy-naphthalene-2-carboxylic acid
IUPAC
(5S,6R)-5-(5-ethylfuran-2-yl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid

Names & synonyms

SCHEMBL8836773AADDVOKFSPNUSV-PXAZEXFGSA-Ntrans-1-(5-ethyl-2-furanyl)-1,2,3,4-tetrahydro-6,7-methylenedioxy-naphthalene -2-carboxylic acid

Database identifiers

PubChem CID
22869412

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
68.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23

Related reactions

1 records
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Linked notes

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