AG002DAU

201286-69-3 | 1H-Indole-6-carboxylic acid, 3-methyl-

AG002DAU

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CAS Number	201286-69-3
Catalog Number	AG002DAU(AGN-PC-03HYB2)
Chemical Name	1H-Indole-6-carboxylic acid, 3-methyl-
IUPAC Name	3-methyl-1H-indole-6-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-6-5-11-9-4-7(10(12)13)2-3-8(6)9/h2-5,11H,1H3,(H,12,13)
InChI Key	NYOPDHGKWNANDV-UHFFFAOYSA-N
MDL Number	MFCD09751723
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O=C(C1=CC2=C(C=C1)C(C)=CN2)O
Synonyms	3-Methyl-1H-indole-6-carboxylic acid, 201286-69-3, 1H-Indole-6-carboxylicacid, 3-methyl-, 1H-Indole-6-carboxylic acid, 3-methyl-, W-206486, 1H-Indole-6-carboxylicacid,3-methyl-, SCHEMBL1552893, CTK0J9874, 3-methylindole-6-carboxylic acid, DTXSID70620335, NYOPDHGKWNANDV-UHFFFAOYSA-N, 3-methyl-indole-6-carboxylic acid, ANW-52536, FCH869891, MFCD09751723, ZINC45817284, AKOS006328582, RP02901, SB14941, AK-65192, AS-41274, SC-31799, AB0040535, AJ-110558, AX8058873, ST2417784, TC-070691, CS-0054387, FT-0733976, Y8156, 1H-INDOLE-6-CARBOXYLIC ACID,3-METHYL-, 3-Methyl-1H-indole-6-carboxylic acid, 98%, X-1340, C10H9NO2, 1H-Indole-6-carboxylic acid, 3-methyl- (9CI),

Complexity	217
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	1
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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