Methyl Indoline-5-carboxylate - CAS 141452-01-9

Catalog:	BB009180
Product Name:	Methyl Indoline-5-carboxylate
CAS:	141452-01-9
Synonyms:	2,3-dihydro-1H-indole-5-carboxylic acid methyl ester; methyl 2,3-dihydro-1H-indole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2,3-dihydro-1H-indole-5-carboxylate
Description:	Methyl Indoline-5-carboxylate (CAS# 141452-01-9) is a useful research chemical.
Molecular Weight:	177.20
Molecular Formula:	C10H11NO2
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)NCC2
InChI:	InChI=1S/C10H11NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-3,6,11H,4-5H2,1H3
InChI Key:	VVAPQJBMJBCZMH-UHFFFAOYSA-N
Boiling Point:	330.955 ℃ at 760 mmHg
Density:	1.162 g/cm³
Appearance:	Off white powder
Storage:	Keep in dark place, Sealed in dry, 2-8 ℃
MDL:	MFCD07371630
LogP:	1.57920

Publication Number	Title	Priority Date
CN-112209915-A	Method for air oxidation of N-pyridine indoline compounds	20200908
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
CN-113121463-A	Amide compound with bicyclic structure and application thereof in medicines	20191231
WO-2021136339-A1	Amide compound with bicyclic structure and use thereof in drug	20191231
CN-112300129-A	Heterocyclic compounds as BCR-ABL inhibitors	20190729

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
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[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

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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:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.078978594
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1