AG00EDTG

588688-44-2 | 3-Methyl-1H-indole-5-carboxylicacid

AG00EDTG

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CAS Number	588688-44-2
Catalog Number	AG00EDTG(AGN-PC-01A0PM)
Chemical Name	3-Methyl-1H-indole-5-carboxylicacid
IUPAC Name	3-methyl-1H-indole-5-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-6-5-11-9-3-2-7(10(12)13)4-8(6)9/h2-5,11H,1H3,(H,12,13)
InChI Key	NZUSFHSAVRYCPU-UHFFFAOYSA-N
MDL Number	MFCD11052228
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	CC1=CNC2=C1C=C(C=C2)C(O)=O
Synonyms	3-Methyl-1H-indole-5-carboxylic acid, 588688-44-2, 3-methylindole-5-carboxylic acid, 1H-Indole-5-carboxylic acid, 3-methyl-, AK-65191, 3-Methyl-1H-indole-5-carboxylicacid, SCHEMBL2610249, CTK5A9006, DTXSID80588699, ANW-71860, CM-373, FCH887752, MFCD11052228, STK927801, ZINC14001414, AKOS000739248, CS-W006547, MCULE-4138982778, RP02907, RTR-037184, SB14940, AJ-64582, AM804097, TS-02417, AX8195991, TR-037184, BB 0259988, FT-0678802, ST50532383, Y9555, Z-2370, I04-4548, J-512821, C10H9NO2,

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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