Carbonic acid 3-(3-cyano-phenoxy)-4-methoxy-benzyl ester methyl ester

HCID 57701117
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Basic information

Standard SMILES
COC(=O)OCc1ccc(OC)c(Oc2cccc(C#N)c2)c1
InChIKey
FQCFCMCFMCKVGP-UHFFFAOYSA-N
Molecular formula
C17H15NO5
Average molar mass
313.3 g/mol
Monoisotopic mass
313.09502258

Names & identifiers

Preferred name
Carbonic acid 3-(3-cyano-phenoxy)-4-methoxy-benzyl ester methyl ester
IUPAC
[3-(3-cyanophenoxy)-4-methoxyphenyl]methyl methyl carbonate

Names & synonyms

SCHEMBL3990846FQCFCMCFMCKVGP-UHFFFAOYSA-NCarbonic acid 3-(3-cyano-phenoxy)-4-methoxy-benzyl ester methyl ester

Database identifiers

PubChem CID
57701117

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
77.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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