Basic information
- CAS
2286-29-5- Standard SMILES
CCOC(=O)C(C#N)=Cc1ccc(OC)cc1- InChIKey
KJKGDEVERRGVFA-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- Ethyl alpha-cyano-4-methoxycinnamate
- IUPAC
- ethyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate
- English name
- α-Cyano-4-methoxybenzeneacrylic acid ethyl ester
- Molecular formula
- C13H13NO3
- Molecular weight
- 231.25
Names & synonyms
Ethyl alpha-cyano-4-methoxycinnamateRefChem:596107652-060-8ethyl 2-cyano-3-(4-methoxyphenyl)acrylate2286-29-5ethyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoateMFCD002454352-Propenoic acid, 2-cyano-3-(4-methoxyphenyl)-, ethyl ester, (E)-MFCD00026849SCHEMBL3602307KJKGDEVERRGVFA-UHFFFAOYSA-NAKOS025243296
Show more names
α-Cyano-4-methoxybenzeneacrylic acid ethyl ester3-(4-Methoxyphenyl)-2-cyanoacrylic acid ethyl ester2-Cyano-3-(p-methoxyphenyl)acrylic acid ethyl ester2-(4-Methoxybenzylidene)-2-cyanoacetic acid ethyl ester2-Propenoic acid, 2-cyano-3-(4-methoxyphenyl)-, ethyl ester
AB01480SY019367DB-370240?-Cyano-4-methoxybenzeneacrylic acid ethyl esterethyl 2-cyano-3-(4-methoxyphenyl)-2-propenoate|A-Cyano-4-methoxybenzeneacrylic acid ethyl ester2-Cyano-3-(4-methoxyphenyl)-acrylic acid ethyl esterethyl (2Z)-2-cyano-3-(4-methoxyphenyl)-2-propenoate
Database identifiers
- CAS
2286-29-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers11 total
韶远科技（上海）有限公司4000665055 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津康利欣科技有限公司18622939839 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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