(S)-1-Acetylindoline-2-carboxylic Acid - CAS 82950-72-9

Catalog:	BB036941
Product Name:	(S)-1-Acetylindoline-2-carboxylic Acid
CAS:	82950-72-9
Synonyms:	(2S)-1-acetyl-2,3-dihydroindole-2-carboxylic acid; (2S)-1-acetyl-2,3-dihydroindole-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	(2S)-1-acetyl-2,3-dihydroindole-2-carboxylic acid
Description:	(S)-1-Acetylindoline-2-carboxylic Acid (CAS# 82950-72-9 ) is a useful research chemical.
Molecular Weight:	205.21
Molecular Formula:	C11H11NO3
Canonical SMILES:	CC(=O)N1C(CC2=CC=CC=C21)C(=O)O
InChI:	InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1
InChI Key:	OGMIMMRKTFZDKW-JTQLQIEISA-N
Boiling Point:	494.135 ℃ at 760 mmHg
Density:	1.34 g/cm³
MDL:	MFCD04972422
LogP:	1.11380

Publication Number	Title	Priority Date
JP-2009278930-A	Process for producing optically active organic carboxylic acid from organic carboxylic acid ester	20080523
JP-5266875-B2	Process for producing optically active organic carboxylic acid from organic carboxylic acid ester	20080523
CN-101939444-A	Process for production of optically active indoline-2-carboxylic acid or derivative thereof	20080206
EP-2251431-A1	Process for production of optically active indoline-2-carboxylic acid or derivative thereof	20080206
JP-5093248-B2	Process for producing optically active indoline-2-carboxylic acids or derivatives thereof	20080206

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Related Functional Groups

Carbonyl Compounds

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Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	205.07389321
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.07389321
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9