Ethyl 3-Formyl-1H-indole-2-carboxylate - CAS 18450-27-6

Catalog:	BB014145
Product Name:	Ethyl 3-Formyl-1H-indole-2-carboxylate
CAS:	18450-27-6
Synonyms:	3-formyl-1H-indole-2-carboxylic acid ethyl ester; ethyl 3-formyl-1H-indole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-formyl-1H-indole-2-carboxylate
Description:	Ethyl 3-Formyl-1H-indole-2-carboxylate (CAS# 18450-27-6) is a useful research chemical.
Molecular Weight:	217.22
Molecular Formula:	C12H11NO3
Canonical SMILES:	CCOC(=O)C1=C(C2=CC=CC=C2N1)C=O
InChI:	InChI=1S/C12H11NO3/c1-2-16-12(15)11-9(7-14)8-5-3-4-6-10(8)13-11/h3-7,13H,2H2,1H3
InChI Key:	UHTMDXSOGQARCU-UHFFFAOYSA-N
Boiling Point:	428.5 °C at 760 mmHg
Density:	1.293 g/cm³
MDL:	MFCD01463252
LogP:	2.15710

Publication Number	Title	Priority Date
CN-113491691-A	Compound for preparing antitumor drugs or 14-3-3 eta protein inhibitors	20200402
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-2558577-B1	Bi-functional complexes and methods for making and using such complexes	20100416
EP-3540059-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal complexes and methods for making and using such complexes	20100416

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Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.07389321
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.07389321
Rotatable Bond Count:	4
Topological Polar Surface Area:	59.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1