1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, methyl ester
Basic information
- CAS
89909-47-7- Standard SMILES
COC(=O)c1[nH]c(C)c(C(C)=O)c1C- InChIKey
KCKRIDNULINGCM-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, methyl ester
- IUPAC
- methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Names & synonyms
89909-47-71H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, methyl esterDTXSID00343585RefChem:240515DTXCID40294663Methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylateKCKRIDNULINGCM-UHFFFAOYSA-N4-Acetyl-3,5-dimethyl-2-pyrrolecarboxylic acid, methyl esterAKOS022505749Z15517403Methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate #4-Acetyl-3,5-dimethyl-2-pyrrolecarboxylic acid, methylester
Database identifiers
- CAS
89909-47-7- PubChem CID
- 590701
- DTXSID
DTXSID00343585
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
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Compound notes
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