Methyl Indole-3-acetate - CAS 1912-33-0

Catalog:	BB014794
Product Name:	Methyl Indole-3-acetate
CAS:	1912-33-0
Synonyms:	2-(1H-indol-3-yl)acetic acid methyl ester; methyl 2-(1H-indol-3-yl)acetate

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	methyl 2-(1H-indol-3-yl)acetate
Description:	A phytohormone.
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	COC(=O)CC1=CNC2=CC=CC=C21
InChI:	InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
InChI Key:	KTHADMDGDNYQRX-UHFFFAOYSA-N
Boiling Point:	341.8 °C at 760 mmHg, 160-163 °C / 0.5 mmHg
Melting Point:	125 °C
Density:	1.223 g/cm³
Appearance:	Solid
MDL:	MFCD00022749
LogP:	1.88340

Publication Number	Title	Priority Date
CN-113292557-A	Pyridopyrimidinone mesoion derivative containing indole unit and preparation method and application thereof	20210531
CN-112684064-A	Serum metabolic marker for screening stress-resistant mutton sheep and application thereof	20201208
CN-112229928-A	Method for simultaneously quantifying multiple phytohormones in plant sample	20201006
CN-112229928-B	Method for simultaneously quantifying multiple phytohormones in plant sample	20201006
AU-2020101907-A4	Indole compound and application thereof in control of agricultural fungal diseases	20200820

PMID	Publication Date	Title	Journal
32537472	20200101	Quercetin Suppresses AOM/DSS-Induced Colon Carcinogenesis through Its Anti-Inflammation Effects in Mice	Journal of immunology research
22078230	20111113	Constitutive expression of a grapevine polygalacturonase-inhibiting protein affects gene expression and cell wall properties in uninfected tobacco	BMC research notes
21904598	20110101	DELLA-induced early transcriptional changes during etiolated development in Arabidopsis thaliana	PloS one
20657476	20100504	Chemical constituents of a marine-derived endophytic fungus Penicillium commune G2M	Molecules (Basel, Switzerland)
18467465	20080701	Inactive methyl indole-3-acetic acid ester can be hydrolyzed and activated by several esterases belonging to the AtMES esterase family of Arabidopsis	Plant physiology

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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7