1-Phenyl-2-acetoxy-cyclohex-3-ene-1-carboxylic acid-ethyl-ester

HCID 21394564
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Basic information

Standard SMILES
CCOC(=O)C1(c2ccccc2)CCC=CC1OC(C)=O
InChIKey
OAPXJUIYRSBKLT-UHFFFAOYSA-N
Molecular formula
C17H20O4
Average molar mass
288.34 g/mol

Names & identifiers

Preferred name
1-Phenyl-2-acetoxy-cyclohex-3-ene-1-carboxylic acid-ethyl-ester
IUPAC
ethyl 2-acetyloxy-1-phenylcyclohex-3-ene-1-carboxylate

Names & synonyms

SCHEMBL11730235OAPXJUIYRSBKLT-UHFFFAOYSA-N1-phenyl-2-acetoxy-cyclohex-3-ene-1-carboxylic acid-ethyl-ester1-Phenyl-2-acetoxy-cyclohex-3-ene-1-carboxylic-acid-ethyl-ester

Database identifiers

PubChem CID
21394564

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
21

Related reactions

4 records
New reaction record

Linked notes

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