AG00EATK

6266-66-6 | 2-Indol-3-yl-4-oxo-4-phenylbutanoic Acid

AG00EATK

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CAS Number	6266-66-6
Catalog Number	AG00EATK(AGN-PC-0T5FZF)
Chemical Name	2-Indol-3-yl-4-oxo-4-phenylbutanoic Acid
IUPAC Name	2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoic acid
InChI	InChI=1S/C18H15NO3/c20-17(12-6-2-1-3-7-12)10-14(18(21)22)15-11-19-16-9-5-4-8-13(15)16/h1-9,11,14,19H,10H2,(H,21,22)
InChI Key	SJVMWLJNHPHNPT-UHFFFAOYSA-N
MDL Number	MFCD00170195
Molecular Formula	C18H15NO3
Molecular Weight	293.3166
NSC Number	36840
SMILES	O=C(O)C(C1=CNC2=C1C=CC=C2)CC(C3=CC=CC=C3)=O
Synonyms	6266-66-6, 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid, 2-indol-3-yl-4-oxo-4-phenylbutanoic acid, PEO-IAA, 2-(1H-Indol-3-yl)-4-oxo-4-phenyl-butyric acid, MLS000716512, SMR000278029, 2-Inodl-3-yl-4-oxo-4-phenylbutanoic acid, NSC36840, Opera_ID_1008, AC1L5UF8, AC1Q5F2X, Oprea1_085797, Oprea1_800638, CHEMBL1488848, SCHEMBL15747704, CTK5B5513, DTXSID40284342, SJVMWLJNHPHNPT-UHFFFAOYSA-N, HMS1619N05, HMS2637H09, HMS3362I06, KS-000028IC, MFCD00170195, NSC-36840, SBB027977, STK975951, AKOS000300600, AKOS016340265, CCG-121924, MCULE-9454584878, MS-6212, VZ24786, BAS 04207246, ST082318, HY-112730, TR-021553, CS-0062993, FT-0636051, Butanoic acid, 4-oxo-2-(3-indolyl)-4-phenyl-, C-18396, SR-01000326238, 1H-Indole-3-aceticacid, a-(2-oxo-2-phenylethyl)-, 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid #, I04-3497, SR-01000326238-1, 1H-Indole-3-aceticacid, |A-(2-oxo-2-phenylethyl)-, 2-indol-3-yl-4-oxo-4-phenylbutanoic acid, AldrichCPR, 1H-Indole-3-acetic acid, .alpha.-(2-oxo-2-phenylethyl)-, PEO-IAA (Synonyms: 2-(1H-Indol-3-yl)-4-oxo-4-phenyl-butyric acid), AR-1E2812, CID235453, 2-INDOL-3-YL-4-OXO-4-PHENYLBUTANOICACID, 6726-65-4,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.105g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	293.322g/mol
Monoisotopic Mass	293.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	70.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number