1H-Indole-6-acetic Acid - CAS 39689-58-2

Catalog:	BB024087
Product Name:	1H-Indole-6-acetic Acid
CAS:	39689-58-2
Synonyms:	2-(1H-indol-6-yl)acetic acid; 2-(1H-indol-6-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(1H-indol-6-yl)acetic acid
Description:	1H-Indole-6-acetic Acid (CAS# 39689-58-2) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	C1=CC(=CC2=C1C=CN2)CC(=O)O
InChI:	InChI=1S/C10H9NO2/c12-10(13)6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6H2,(H,12,13)
InChI Key:	SWFCZJVRWYZLPW-UHFFFAOYSA-N
Boiling Point:	415.03 °C at 760 mmHg
Density:	1.355 g/cm³
LogP:	1.79500

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[70199-62-1]
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[91552-11-3]
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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:	2.4