2-(5-methyl-1H-pyrrol-3-yl)acetic acid

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Basic information

CAS: 102074-66-8
Standard SMILES: Cc1cc(CC(=O)O)c[nH]1
InChIKey: CYDKEXZVCJCNEP-UHFFFAOYSA-N
Molecular formula: C7H9NO2
Average molar mass: 139.15 g/mol
Monoisotopic mass: 139.06332853

Names & identifiers

Preferred name: 2-(5-methyl-1H-pyrrol-3-yl)acetic acid
IUPAC: 2-(5-methyl-1H-pyrrol-3-yl)acetic acid

Names & synonyms

2-(5-methyl-1H-pyrrol-3-yl)acetic acid102074-66-8SCHEMBL6327779CYDKEXZVCJCNEP-UHFFFAOYSA-NAKOS006355040(5-methyl-1H-pyrrol-3-yl)-acetic acid(5-methyl-1 H-pyrrol-3-yl)-acetic acidEN300-7164346

Database identifiers

CAS: 102074-66-8
PubChem CID: 22561983

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 53.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Related reactions

2 records

New reaction record

HRID 983074As reactantuspto-grants-2005_03

HRID 2323260As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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