4-Cyano-2-methoxyphenyl acetate

HCID 793773
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C#N)ccc1OC(C)=O
InChIKey
DDMABCQEXXTERF-UHFFFAOYSA-N
Molecular formula
C10H9NO3
Average molar mass
191.18 g/mol
Monoisotopic mass
191.05824315

Names & identifiers

Preferred name
4-Cyano-2-methoxyphenyl acetate
IUPAC
(4-cyano-2-methoxyphenyl) acetate

Names & synonyms

4-cyano-2-methoxyphenyl acetateOprea1_080055Oprea1_6635044-acetoxy-3-methoxybenzonitrileSCHEMBL116737084-acetoxy-3-methoxy-benzonitrileDDMABCQEXXTERF-UHFFFAOYSA-NSTK400332AKOS000304686ST45141995Z26991942

Database identifiers

PubChem CID
793773
Nikkaji
J3.102.640G

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Related reactions

3 records
New reaction record

Compound notes

Loading…