Methyl Oxindole-7-carboxylate - CAS 380427-39-4

Catalog:	BB023503
Product Name:	Methyl Oxindole-7-carboxylate
CAS:	380427-39-4
Synonyms:	2-oxo-1,3-dihydroindole-7-carboxylic acid methyl ester; methyl 2-oxo-1,3-dihydroindole-7-carboxylate

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Computed Properties

IUPAC Name:	methyl 2-oxo-1,3-dihydroindole-7-carboxylate
Description:	Methyl Oxindole-7-carboxylate (CAS# 380427-39-4) is a useful research chemical.
Molecular Weight:	191.18
Molecular Formula:	C10H9NO3
Canonical SMILES:	COC(=O)C1=C2C(=CC=C1)CC(=O)N2
InChI:	InChI=1S/C10H9NO3/c1-14-10(13)7-4-2-3-6-5-8(12)11-9(6)7/h2-4H,5H2,1H3,(H,11,12)
InChI Key:	XVJRNLIMSQFUAI-UHFFFAOYSA-N
Boiling Point:	402.7 °C at 760 mmHg
Density:	1.283 g/cm³
Appearance:	Pale-yellow to yellow-brown solid
LogP:	1.10580

Publication Number	Title	Priority Date
EP-3541805-B1	Heteroaryl-substituted triazoles as apj receptor agonists	20161116
US-11046680-B1	Heteroaryl-substituted triazoles as APJ receptor agonists	20161116
EP-2320906-B1	Heterocyclic amide derivatives as ep4 receptor antagonists	20080814
US-2011136887-A1	Heterocyclic Amide Derivatives as EP4 Receptor Antagonists	20080814
US-8404736-B2	Heterocyclic amide derivatives as EP4 receptor antagonists	20080814

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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+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.058243149
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.058243149
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6