Indole-4-acetic Acid - CAS 16176-74-2

Catalog:	BB011779
Product Name:	Indole-4-acetic Acid
CAS:	16176-74-2
Synonyms:	2-(1H-indol-4-yl)acetic acid; 2-(1H-indol-4-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(1H-indol-4-yl)acetic acid
Description:	Indole-4-acetic Acid (CAS# 16176-74-2) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	C1=CC(=C2C=CNC2=C1)CC(=O)O
InChI:	InChI=1S/C10H9NO2/c12-10(13)6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6H2,(H,12,13)
InChI Key:	XYJNAOLVFGLFTJ-UHFFFAOYSA-N
Boiling Point:	415.03 °C at 760 mmHg
Density:	1.355 g/cm³
LogP:	1.79500

Publication Number	Title	Priority Date
WO-2019072112-A1	INDOLE ALKALOID COMPOUND SERIES, PROCESS FOR PREPARING THE SAME AND USE THEREOF IN PREPARING ANTIBACTERIAL MEDICAMENTS	20171012
US-2020331939-A1	Preparation of psilocybin, different polymorphic forms, intermediates, formulations and their use	20171009
US-10947257-B2	Preparation of psilocybin, different polymorphic forms, intermediates, formulations and their use	20171009
US-10954259-B1	Preparation of psilocybin, different polymorphic forms, intermediates, formulations and their use	20171009
US-2021155642-A1	Preparation of psilocybin, different polymorphic forms, intermediates, formulations and their use	20171009

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Carbonyl Compounds

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[51493-02-8]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.06332853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5