2-(4-Methyl-3-indolyl)-2-oxoacetic Acid - CAS 1082847-53-7

Catalog:	BB002229
Product Name:	2-(4-Methyl-3-indolyl)-2-oxoacetic Acid
CAS:	1082847-53-7
Synonyms:	2-(4-methyl-1H-indol-3-yl)-2-oxoacetic acid; 2-(4-methyl-1H-indol-3-yl)-2-oxoacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methyl-1H-indol-3-yl)-2-oxoacetic acid
Description:	2-(4-Methyl-3-indolyl)-2-oxoacetic Acid (CAS# 1082847-53-7 ) is a useful research chemical.
Molecular Weight:	203.19
Molecular Formula:	C11H9NO3
Canonical SMILES:	CC1=C2C(=CC=C1)NC=C2C(=O)C(=O)O
InChI:	InChI=1S/C11H9NO3/c1-6-3-2-4-8-9(6)7(5-12-8)10(13)11(14)15/h2-5,12H,1H3,(H,14,15)
InChI Key:	SXPPCSRQKCKQBR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-101243075-A	Novel 2,3-dihydroindole compounds	20050817
EP-1928860-A1	Novel 2,3-dihydroindole compounds	20050817
US-2007043058-A1	Novel 2,3-dihydroindole compounds	20050817
US-7544685-B2	2,3-dihydroindole compounds	20050817
WO-2007019867-A1	Novel 2,3-dihydroindole compounds	20050817

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Complexity:	290
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	203.058243149
Rotatable Bond Count:	2
Topological Polar Surface Area:	70.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8