Pyrrole-2-acetic Acid - CAS 79673-53-3

Catalog:	BB036395
Product Name:	Pyrrole-2-acetic Acid
CAS:	79673-53-3
Synonyms:	2-(1H-pyrrol-2-yl)acetic acid; 2-(1H-pyrrol-2-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(1H-pyrrol-2-yl)acetic acid
Description:	Pyrrole-2-acetic Acid (CAS# 79673-53-3) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C6H7NO2
Canonical SMILES:	C1=CNC(=C1)CC(=O)O
InChI:	InChI=1S/C6H7NO2/c8-6(9)4-5-2-1-3-7-5/h1-3,7H,4H2,(H,8,9)
InChI Key:	GVUHUYQEAGMUNJ-UHFFFAOYSA-N
Boiling Point:	312.165 °C at 760 mmHg
Density:	1.314 g/cm³
MDL:	MFCD01993666
LogP:	0.64180

Publication Number	Title	Priority Date
CN-113061149-A	Preparation method of interchelated ligand, hydroformylation catalyst and dihydric alcohol	20210329
WO-2021158463-A1	Diamine-linked receptor-specific cyclic peptides	20200203
WO-2021158464-A1	Reverse amide-linked melanocortin receptor-specific cyclic peptides	20200203
CN-109265476-B	Monofluoroboron fluorescent dye and preparation method and application thereof	20181030
CN-110407989-B	Method for preparing self-polymerization biological material by taking lignocellulose furfural residues as raw materials	20180427

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.047678466
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	125.047678466
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2