Basic information
- CAS
29096-99-9- Standard SMILES
CCOC=C(C#N)C(=O)OC- InChIKey
FYXVHJJZGRTONS-UHFFFAOYSA-N- Molecular formula
- C7H9NO3
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.05824315
Overview
See also: Methyl 2-cyano-3-ethoxyacrylate (annotation moved to).
Names & identifiers
- Preferred name
- Methyl 2-cyano-3-ethoxy-2-propenoate
- IUPAC
- methyl 2-cyano-3-ethoxyprop-2-enoate
- English name
- methyl 2-cyano-3-ethoxyacrylate
- Molecular formula
- C7H9NO3
- Molecular weight
- 155.15
Names & synonyms
DTXSID101290257Methyl 2-cyano-3-ethoxy-2-propenoateRefChem:814352DTXCID30172087029096-99-9methyl 2-cyano-3-ethoxyprop-2-enoate2-Propenoic acid, 2-cyano-3-ethoxy-, methyl esterSCHEMBL2671868FYXVHJJZGRTONS-UHFFFAOYSA-Nmethyl 2-cyano-3-ethoxy-prop-2-enoatemethyl 2-ethoxymethylene-2-cyanoacetateethoxymethylenecyanoacetic acid methyl ester
Show more names
Nsc522188NSC 617607methyl 2-cyano-3-ethoxyacrylate(E)-Methyl 2-cyano-3-ethoxyacrylateMethyl cyano(ethoxymethylene)acetateMethyl cyano(ethoxymethylidene)acetateMethyl 2-(ethoxymethylene)-2-cyanoacetate2-Cyano-3-ethoxyacrylic acid methyl ester2-Cyano-3-ethoxypropenoic acid methyl ester
2-Cyano-3-ethoxy-2-propenoic acid, methyl esterNSC617607, NSC522188, CID5385921, 29096-99-9
Database identifiers
- CAS
29096-99-9- PubChem CID
- 101455
- DTXSID
DTXSID101290257
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 99 ℃ · 99℃ (0.3 Torr)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- FDA UNII
- 763 TSD3BD5 · 763TSD3BD5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
上海康恩博医药科技有限公司17510465506 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Related reactions
5 records
Compound notes
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