Methyl 3-Formyl-1H-indole-5-carboxylate - CAS 197506-83-5

Catalog:	BB015257
Product Name:	Methyl 3-Formyl-1H-indole-5-carboxylate
CAS:	197506-83-5
Synonyms:	3-formyl-1H-indole-5-carboxylic acid methyl ester; methyl 3-formyl-1H-indole-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-formyl-1H-indole-5-carboxylate
Description:	Methyl 3-Formyl-1H-indole-5-carboxylate (CAS# 197506-83-5) is a useful research chemical.
Molecular Weight:	203.19
Molecular Formula:	C11H9NO3
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)NC=C2C=O
InChI:	InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-10-9(4-7)8(6-13)5-12-10/h2-6,12H,1H3
InChI Key:	UGLRSYDAOVKFIJ-UHFFFAOYSA-N
Boiling Point:	404.4 °C at 760 mmHg
Density:	1.341 g/cm³
MDL:	MFCD00211075
LogP:	1.76700

Publication Number	Title	Priority Date
AU-2017213768-A1	Benzopyrazole compounds and analogues thereof	20160201
EP-3411411-A1	Benzopyrazole compounds and analogues thereof	20160201
JP-2019507130-A	Benzopyrazole compounds and their analogues	20160201
KR-20180117624-A	Benzopyrazole compounds and analogues thereof	20160201
US-2019142802-A1	Benzopyrazole compounds and analogues thereof	20160201

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Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.058243149
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.058243149
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5