AG002G8W

192717-19-4 | 1H-Indole-5-propanoic acid

AG002G8W

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CAS Number	192717-19-4
Catalog Number	AG002G8W(AGN-PC-03KCZH)
Chemical Name	1H-Indole-5-propanoic acid
IUPAC Name	3-(1H-indol-5-yl)propanoic acid
InChI	InChI=1S/C11H11NO2/c13-11(14)4-2-8-1-3-10-9(7-8)5-6-12-10/h1,3,5-7,12H,2,4H2,(H,13,14)
InChI Key	QLLLZURKPNGXFF-UHFFFAOYSA-N
MDL Number	MFCD11100576
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	OC(=O)CCC1=CC2=C(NC=C2)C=C1
Synonyms	3-(1H-INDOL-5-YL)PROPANOIC ACID, 192717-19-4, 1H-Indole-5-propanoic acid, 1H-Indole-5-propionic acid, SCHEMBL6263512, CTK4E1064, DTXSID90622432, QLLLZURKPNGXFF-UHFFFAOYSA-N, 3-(1H-indol-5-yl)propionic acid, ZINC35569698, AKOS006309228, NE30772, RL06144, AJ-91482, TX-016534, FT-0710719, Y8114, W-206418, 3-(1H-indol-5-yl)propanoic acid; 1H-indole-5-propanoic acid, C11H11NO2,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number