Basic information
- CAS
35011-31-5- Standard SMILES
CCOC(=O)c1ccc(CC)[nH]1- InChIKey
NVGWUBMOJMJEDD-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- Ethyl 5-ethyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 5-ethyl-1H-pyrrole-2-carboxylate
- English name
- 5-Ethyl-1H-pyrrole-2-carboxylic acid ethyl ester
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
Ethyl 5-ethyl-1H-pyrrole-2-carboxylate35011-31-5DTXSID70344509RefChem:344345DTXCID902955845-Ethyl-1H-pyrrole-2-carboxylic acid ethyl esterMFCD13178595Ethyl 5-ethylpyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 5-ethyl-, ethyl esterSCHEMBL3282173SY250678DB-319488
Show more names
Ethyl 5-ethyl-1H-pyrrole-2-carboxylate #CS-0091911D75268F611142
Database identifiers
- CAS
35011-31-5- PubChem CID
- 597485
- DTXSID
DTXSID70344509- Nikkaji
- J121.882D
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 159
Chemistry & industry
Suppliers3 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京奕博云天科技有限公司13811826434
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
7 records
Compound notes
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