Methyl indole-1-carboxylate - CAS 39203-20-8

Catalog:	BB023879
Product Name:	Methyl indole-1-carboxylate
CAS:	39203-20-8
Synonyms:	methyl indole-1-carboxylate

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Computed Properties

IUPAC Name:	methyl indole-1-carboxylate
Description:	Methyl indole-1-carboxylate (CAS# 39203-20-8) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	COC(=O)N1C=CC2=CC=CC=C21
InChI:	InChI=1S/C10H9NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h2-7H,1H3
InChI Key:	FHOPBCYBMWVMGJ-UHFFFAOYSA-N
LogP:	2.25580

Publication Number	Title	Priority Date
CN-108530335-A	A kind of Benzazole compounds and its preparation method and application	20180521
CN-108530335-B	Indole compound and preparation method and application thereof	20180521
WO-2019206853-A1	Peptide macrocycles against acinetobacter baumannii	20180423
AU-2019260124-A1	Peptide macrocycles against Acinetobacter baumannii	20180423
EP-3784262-A1	Peptide macrocycles against acinetobacter baumannii	20180423

PMID	Publication Date	Title	Journal
17125228	20061101	Synthesis of bromoindole alkaloids from Laurencia brongniartii	Journal of natural products

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	31.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3