Ethyl 4-methoxy-1h-pyrrole-2-carboxylate

HCID 265690

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Basic information

CAS: 18469-25-5
Standard SMILES: CCOC(=O)c1cc(OC)c[nH]1
InChIKey: KVVUVMZYKUVTRA-UHFFFAOYSA-N
Molecular formula: C8H11NO3
Average molar mass: 169.18 g/mol
Monoisotopic mass: 169.07389321

Names & identifiers

Preferred name: Ethyl 4-methoxy-1h-pyrrole-2-carboxylate
IUPAC: ethyl 4-methoxy-1H-pyrrole-2-carboxylate

Names & synonyms

ethyl 4-methoxy-1h-pyrrole-2-carboxylate18469-25-5NSC102017SCHEMBL14791054DTXSID10295445NSC-102017SB63760DS-0110533beta,17,21-Trihydroxy-5alpha-Pregnane-11,20-dione 21-Acetate

Database identifiers

CAS: 18469-25-5
PubChem CID: 265690
DTXSID: DTXSID10295445

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 51.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 160

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