AG0037AP

39689-58-2 | 1H-Indole-6-acetic acid

AG0037AP

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CAS Number	39689-58-2
Catalog Number	AG0037AP(AGN-PC-002WAV)
Chemical Name	1H-Indole-6-acetic acid
IUPAC Name	2-(1H-indol-6-yl)acetic acid
InChI	InChI=1S/C10H9NO2/c12-10(13)6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H,6H2,(H,12,13)
InChI Key	SWFCZJVRWYZLPW-UHFFFAOYSA-N
MDL Number	MFCD09837606
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	N1C=CC2=CC=C(C=C12)CC(=O)O
Synonyms	2-(1H-Indol-6-yl)acetic acid, 39689-58-2, 1H-Indole-6-acetic acid, indole-6-acetic acid, 2-(indol-6-yl)acetic acid, (1H-Indol-6-yl)acetic acid, (1H-indol-6-yl)-acetic acid, SCHEMBL3105331, CTK1B3766, KS-00000PGE, DTXSID40564979, SWFCZJVRWYZLPW-UHFFFAOYSA-N, ANW-63672, MFCD09837606, RB3238, ZINC34404574, AKOS004122026, FS-3664, MCULE-9219610026, SB14723, AJ-88317, AK-78152, AB0068994, TX-015953, 4CH-011143, FT-0696416, ST24021628, Z4698, L-1730, C10H9NO2,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number