Basic information
- CAS
2286-55-7- Standard SMILES
CCOC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1- InChIKey
PRSFEPRXXOXYKF-YRNVUSSQSA-N- Molecular formula
- C14H15NO4
- Average molar mass
- 261.27 g/mol
- Monoisotopic mass
- 261.10010796
Overview
See also: Ethyl alpha-cyano-3,4-dimethoxycinnamate (annotation moved to).
Names & identifiers
- Preferred name
- 2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester
- IUPAC
- ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
- English name
- ethyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
- Molecular formula
- C14H15NO4
- Molecular weight
- 261.27
Names & synonyms
2286-55-72-Cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl esterethyl 2-cyano-3-(3,4-dimethoxyphenyl)acrylateNSC10162ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoateMLS000529192CHEMBL1369035SCHEMBL22259791HMS2342L21CCG-41861NSC-10162AKOS000560000
Show more names
ETHYL ALPHA-CYANO-3,4-DIMETHOXYCINNAMATEethyl α-cyano-β-(3,4-dimethoxyphenyl)acrylateethyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoateethyl (2Z)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, ethyl ester
SMR000121667SR-01000631908-1
Database identifiers
- CAS
2286-55-7- PubChem CID
- 720893
- ChEMBL
CHEMBL1369035
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physicochemical properties
- Melting point
- 157 °C · 157 °C(Solvent: Ethanol)
- Boiling point
- 408.626 · 408.626±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
湖北奕化新材料科技有限公司17754433341 18086038039 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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