Basic information
- CAS
21898-45-3- Standard SMILES
CCOC(=O)C(=O)c1cccn1C- InChIKey
HZSVMMXNUWDJPP-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate
- IUPAC
- ethyl 2-(1-methylpyrrol-2-yl)-2-oxoacetate
- English name
- ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetate
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.18854
Names & synonyms
21898-45-3Ethyl 1-methyl-alpha-oxo-1H-pyrrole-2-acetateDTXSID50176300EINECS 244-644-2RefChem:138487DTXCID7098791244-644-2ethyl (1-methyl-1H-pyrrol-2-yl)(oxo)acetateethyl 2-(1-methylpyrrol-2-yl)-2-oxoacetateSCHEMBL10919254HZSVMMXNUWDJPP-UHFFFAOYSA-Nethyl 1-methylpyrrole-2-glyoxylate
Show more names
ethyl 1-methylpyrrole-2-oxoacetateEthyl 2-(1-Methyl-1H-pyrrol-2-yl)-2-oxoacetateα-Oxo-1-methyl-1H-pyrrole-2-acetic acid ethyl ester1-Methyl-α-oxo-1H-pyrrole-2-acetic acid ethyl ester
NS00026988
Database identifiers
- CAS
21898-45-3- PubChem CID
- 89094
- DTXSID
DTXSID50176300- EC Number
- 244-644-2
- Nikkaji
- J225.474C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
9 records
Compound notes
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