Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate

HCID 120022
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Basic information

CAS
28711-04-8
Standard SMILES
CCCCOC(=O)C(C#N)=C(C)c1ccc(OC)cc1
InChIKey
NKBHDHWFTJYJSK-UHFFFAOYSA-N
Molecular formula
C16H19NO3
Average molar mass
273.33 g/mol
Monoisotopic mass
273.13649347

Names & identifiers

Preferred name
Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate
IUPAC
butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate

Names & synonyms

SCHEMBL76804NKBHDHWFTJYJSK-UHFFFAOYSA-NDTXSID801254187NS00048471butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoatea-cyano-beta-methyl-4-methoxy cinnamic acid butyl ester

Database identifiers

CAS
28711-04-8
PubChem CID
120022
DTXSID
DTXSID801254187

Properties

Computed structural propertiesFilling in

XLogP
4
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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CAS 28711-04-8 Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate (HCID 120022)｜Huagongshe