Basic information
- CAS
90610-08-5- Standard SMILES
CCOC(=O)C=Cc1ccc[nH]1- InChIKey
LRQXFCIRPHLXFH-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Ethyl 3-(1H-pyrrol-2-yl)acrylate
- IUPAC
- ethyl 3-(1H-pyrrol-2-yl)prop-2-enoate
- English name
- 3-(1H-Pyrrol-2-yl)-acrylic acid ethyl ester
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
Ethyl 3-(1H-pyrrol-2-yl)acrylate90610-08-5ethyl 3-(1H-pyrrol-2-yl)prop-2-enoateEthyl 3-(1H-pyrrol-2-yl)-2-propenoateSCHEMBL1080463LRQXFCIRPHLXFH-UHFFFAOYSA-NDTXSID101286842SB630763-pyrrol-2-yl-acrylic acid ethyl ester3-(1H-Pyrrol-2-yl)-acrylic acid ethyl ester
Database identifiers
- CAS
90610-08-5- PubChem CID
- 577120
- DTXSID
DTXSID101286842
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 308.043 · 308.043±17.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 16.872 · 16.872±0.50(predicted)
Chemistry & industry
Suppliers5 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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