AG00AC53

153247-93-9 | 1-Acetylindoline-5-carboxylic acid

AG00AC53

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CAS Number	153247-93-9
Catalog Number	AG00AC53(AGN-PC-0LPN67)
Chemical Name	1-Acetylindoline-5-carboxylic acid
IUPAC Name	1-acetyl-2,3-dihydroindole-5-carboxylic acid
InChI	InChI=1S/C11H11NO3/c1-7(13)12-5-4-8-6-9(11(14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChI Key	KRXHHESVJTVORG-UHFFFAOYSA-N
MDL Number	MFCD03011730
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	O=C(O)C1=CC2=C(C=C1)N(CC2)C(C)=O
Synonyms	1-acetylindoline-5-carboxylic acid, 153247-93-9, 1-acetyl-2,3-dihydro-1H-indole-5-carboxylic acid, 1-acetyl-2,3-dihydroindole-5-carboxylic acid, PubChem18675, AC1Q1KDA, AC1NRO86, Oprea1_443668, 1H-Indole-5-carboxylic acid, 1-acetyl-2,3-dihydro-, SCHEMBL5068337, CTK7I8438, KS-00000CKE, A3751/0159032, DTXSID00415392, 1-Acetylindoline-5-carboxylicAcid, KRXHHESVJTVORG-UHFFFAOYSA-N, HMS1773M08, ZINC4717133, MFCD03011730, SBB018442, STK271875, AKOS000119307, MCULE-6931908998, AJ-52065, BS-14005, ST058954, SY007158, AB0065488, DB-063977, RT-018162, FT-0720128, V3485, EN300-23653, 1-acetylindoline-5-carboxylic acid, AldrichCPR, K-4850, MFCD03011730 (95+%), I14-20161, C11H11NO3, CID5295547, 273-62-1,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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