Ethyl 3-formyl-1H-indole-7-carboxylate - CAS 927181-98-4

Name: Ethyl 3-formyl-1H-indole-7-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB046743
Product Name:	Ethyl 3-formyl-1H-indole-7-carboxylate
CAS:	927181-98-4
Synonyms:	3-Formylindole-7-carboxylic acid ethyl ester; Ethyl 3-Formylindole-7-Carboxylate; 1H-Indole-7-carboxylic acid, 3-forMyl-, ethyl ester

Technical Data

Computed Properties

IUPAC Name:	ethyl 3-formyl-1H-indole-7-carboxylate
Description:	Ethyl 3-formyl-1H-indole-7-carboxylate (CAS# 927181-98-4 ) is a useful research chemical.
Molecular Weight:	217.22
Molecular Formula:	C12H11NO3
Canonical SMILES:	CCOC(=O)C1=CC=CC2=C1NC=C2C=O
InChI:	InChI=1S/C12H11NO3/c1-2-16-12(15)10-5-3-4-9-8(7-14)6-13-11(9)10/h3-7,13H,2H2,1H3
InChI Key:	XUTDEDCNVFAAEQ-UHFFFAOYSA-N
Boiling Point:	411.1 °C at 760 mmHg
Purity:	95 %
Density:	1.293 g/cm³

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Indoles

[1884330-89-5]C9H8ND
1-Methyl-1H-indole-5-D
[2170450-99-2]C16H12N2O2S
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[119910-45-1]C9H6BrNO
2-bromo-1H-indole-3-carbaldehyde
[171780-79-3]C9H10N2O
5-Methoxy-7-methyl-4-azaindole
[1375064-43-9]C12H12BrNO2
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[467458-46-4]C12H11NO3
Ethyl 3-formyl-1H-indole-5-carboxylate

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:	1.7