AG000H5C

1159511-18-8 | 1H-Indole-4-carboxylic acid, 3-methyl-

AG000H5C

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CAS Number	1159511-18-8
Catalog Number	AG000H5C(AGN-PC-071348)
Chemical Name	1H-Indole-4-carboxylic acid, 3-methyl-
IUPAC Name	3-methyl-1H-indole-4-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-6-5-11-8-4-2-3-7(9(6)8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key	JXAMZDOUELWKJK-UHFFFAOYSA-N
MDL Number	MFCD11869751
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	CC1=CNC2=C1C(=CC=C2)C(O)=O
Synonyms	3-Methyl-1H-indole-4-carboxylic acid, 1159511-18-8, AK-30207, W-204863, MFCD11869751, SCHEMBL2592748, 4-Carboxy-3-methyl-1H-indole, CTK7I8862, KS-00000HHR, DTXSID80657096, ZX-AT002347, ANW-56549, FCH921778, ZINC36533241, AKOS006346261, AM86166, DS-2274, FS-3632, MP-1015, OR30661, RP02898, SB14938, 1H-Indole-4-carboxylic acid, 3-methyl-, AJ-93150, BL001031, AB0039635, AX8158896, RT-024662, 4CH-008110, FT-0739482, ST24028576, Y7131, J-512820, C10H9NO2, 3-methyl-1H-indole-4-carboxylic acid, 95% - 1G 1g, 736142-86-2,

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	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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