Basic information
- CAS
15854-05-4- Standard SMILES
CCOC(=O)/C(C#N)=C(\C)c1ccc(OC)c(OC)c1- InChIKey
VRVDGLSITMUIHU-ZRDIBKRKSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate
- IUPAC
- ethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate
- English name
- ethyl 2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate
- Molecular formula
- C15H17NO4
- Molecular weight
- 275.3
Names & synonyms
15854-05-4ethyl 2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoateethyl (2E)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoateethyl (E)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoateAKOS001061027ST012285EN300-07993G33780ethyl2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoateZ55928854ethyl (2E)-3-(3,4-dimethoxyphenyl)-2-cyanobut-2-enoateETHYL 2-CYANO-3-(3,4-DIMETHOXYPHENYL)-2-BUTENOATE
Show more names
2-Butenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, ethyl ester
Database identifiers
- CAS
15854-05-4- PubChem CID
- 720596
- EC Number
- 114-065-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 403.8 · 403.8±45.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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