Methyl 2-Indolecarboxylate - CAS 1202-04-6

Catalog:	BB004754
Product Name:	Methyl 2-Indolecarboxylate
CAS:	1202-04-6
Synonyms:	1H-indole-2-carboxylic acid methyl ester; methyl 1H-indole-2-carboxylate

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Computed Properties

IUPAC Name:	methyl 1H-indole-2-carboxylate
Description:	Methyl 2-Indolecarboxylate (CAS# 1202-04-6) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	COC(=O)C1=CC2=CC=CC=C2N1
InChI:	InChI=1S/C10H9NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-6,11H,1H3
InChI Key:	NQPIEWBAWBFGOB-UHFFFAOYSA-N
Boiling Point:	331.7 °C at 760 mmHg
Density:	1.253 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	1.95450

Publication Number	Title	Priority Date
CN-112608271-A	Amide derivatives and their use in the preparation of EP4 receptor antagonists	20201126
CN-111841896-A	Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof	20200806
WO-2021143816-A1	Fused imide derivative, preparation method therefor and medical use thereof	20200116
CN-111138340-A	Preparation method of methoxy-substituted methyl-1H-indole-2-carboxylate	20200113
CN-113121527-A	Tricyclic compound and use thereof	20191231

PMID	Publication Date	Title	Journal
15844982	20050429	Reactions of indole derivatives with oxiranes and aziridines on silica. Synthesis of beta-carbolin-1-one mimic of pancratistatin	The Journal of organic chemistry
15330656	20040819	New synthetic method for indole-2-carboxylate and its application to the total synthesis of duocarmycin SA	Organic letters

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	2.5