Pyrrole-3-carboxylic acid

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Catalog Number

ACM931033

Product Name

Structure

CAS

931-03-3

Category

Heterocyclic Organic Compound

IUPAC Name

1H-pyrrole-3-carboxylic acid

Molecular Weight

111.1g/mol

Molecular Formula

C5H5NO2

Canonical SMILES

C1=CNC=C1C(=O)O

InChI

InChI=1S/C5H5NO2/c7-5(8)4-1-2-6-3-4/h1-3,6H,(H,7,8)

InChI Key

DOYOPBSXEIZLRE-UHFFFAOYSA-N

Complexity

103

Covalently-Bonded Unit Count

Exact Mass

111.032028g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

111.032028g/mol

Rotatable Bond Count

XLogP3

0.2

MSDS

COA

Spec Sheet

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