AG00E7CV

496946-80-6 | 2-Methyl-1H-indole-5-carboxylic acid

AG00E7CV

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CAS Number	496946-80-6
Catalog Number	AG00E7CV(AGN-PC-03DA0W)
Chemical Name	2-Methyl-1H-indole-5-carboxylic acid
IUPAC Name	2-methyl-1H-indole-5-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-6-4-8-5-7(10(12)13)2-3-9(8)11-6/h2-5,11H,1H3,(H,12,13)
InChI Key	STRAEOQKYFMDMG-UHFFFAOYSA-N
MDL Number	MFCD07440342
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O=C(C1=CC2=C(NC(C)=C2)C=C1)O
Synonyms	2-methyl-1H-indole-5-carboxylic acid, 496946-80-6, 1H-Indole-5-carboxylic acid, 2-methyl-, methyl 5-carboxy indole, SCHEMBL1105989, 5-Carboxy-2-methyl-1H-indole, CTK8E4071, DTXSID30616395, STRAEOQKYFMDMG-UHFFFAOYSA-N, KS-00000Q3Y, ZINC9237190, MFCD07440342, AKOS000346209, DS-9193, QC-5271, SB14913, AK166915, SC-92560, AB0096102, TX-016471, FT-0733811, W-2743,

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	1.6

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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