3-Indolyl Acetate - CAS 608-08-2

Catalog:	BB030815
Product Name:	3-Indolyl Acetate
CAS:	608-08-2
Synonyms:	acetic acid 1H-indol-3-yl ester; 1H-indol-3-yl acetate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1H-indol-3-yl acetate
Description:	A useful synthetic intermediate.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	CC(=O)OC1=CNC2=CC=CC=C21
InChI:	InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
InChI Key:	JBOPQACSHPPKEP-UHFFFAOYSA-N
Boiling Point:	339.1 °C at 760 mmHg
Density:	1.255 g/cm³
Appearance:	Cream-colored or light brown powder
MDL:	MFCD00014561
LogP:	2.09320
Vapor Pressure:	0.000209 [mmHg]

Publication Number	Title	Priority Date
KR-20210047850-A	Composition for Inhibiting or Treating for Acute Myeloid Leukemia or Metastatic Breast Cancer	20210423
KR-20210083416-A	Novel Indirubin-based N-Hydroxybenzamides, N-Hydroxypropenamides and N-Hydroxyheptanamides and its use	20191226
US-2021189499-A1	Urinary metabolomic biomarkers for detecting colorectal cancer and polyps	20191223
WO-2021119867-A1	Strain of pseudomonas protegens rgm 2331 and use thereof to produce a biostimulant with antifungal properties to promote growth in plants	20191220
WO-2021122080-A1	Improved genome editing using paired nickases	20191216

PMID	Publication Date	Title	Journal
23079674	20121207	Creating fast flow channels in paper fluidic devices to control timing of sequential reactions	Lab on a chip
22930432	20121011	Eucalyptus growth promotion by endophytic Bacillus spp	Genetics and molecular research : GMR
22828791	20121001	Integrated approach for disease management and growth enhancement of Sesamum indicum L. utilizing Azotobacter chroococcum TRA2 and chemical fertilizer	World journal of microbiology & biotechnology
22860901	20121001	Non-genetic mechanisms communicating antibiotic resistance: rethinking strategies for antimicrobial drug design	Expert opinion on drug discovery
22892688	20121001	In vitro cormlet production of saffron (Crocus sativus L. Kashmirianus) and their flowering response under greenhouse	GM crops & food

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea

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:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.063328530
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2