Pyrrole-2-carboxylic acid

CAS	634-97-9
Structure
Description	Pyrrole-2-carboxylic acid was first identified as a degradation product of sialic acids, then as a derivative of the oxidation of the D-hydroxyproline isomers by mammalian D-amino acid oxidase.
Synonyms	Minaline
IUPAC Name	1H-Pyrrole-2-carboxylic acid
Molecular Weight	111.1
Molecular Formula	C5H5NO2
Canonical SMILES	C1=CNC(=C1)C(=O)O
InChI	InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
InChI Key	WRHZVMBBRYBTKZ-UHFFFAOYSA-N
Boiling Point	340.3±15.0 °C
Melting Point	204-208 °C(lit.)
Flash Point	159.6 °C
Purity	98%
Density	0.862 g/cm³
Solubility	Soluble in methanol
Appearance	Powder
Storage	Keep in dark place, sealed in dry, room temperature
Complexity	103
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	111.032028402
Heavy Atom Count	8
Monoisotopic Mass	111.032028402
Physical State	Powder
Refractive Index	1.441-1.445
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	53.1 Ų