AG0037NB

18474-57-2 | 4-Methyl-1H-indole-2-carboxylic acid

AG0037NB

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CAS Number	18474-57-2
Catalog Number	AG0037NB(AGN-PC-0L2B7T)
Chemical Name	4-Methyl-1H-indole-2-carboxylic acid
IUPAC Name	4-methyl-1H-indole-2-carboxylic acid
InChI	InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key	QMSCXKCJGFIXDF-UHFFFAOYSA-N
MDL Number	MFCD02664476
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	CC1=C2C=C(NC2=CC=C1)C(=O)O
Synonyms	4-Methyl-1H-indole-2-carboxylic acid, 18474-57-2, 4-Methylindole-2-carboxylic acid, Indole-2-carboxylic acid, 4-methyl-, PubChem1706, BAS 12768064, AC1MZRH8, AC1Q2GN5, SCHEMBL3110629, CTK0H4257, KS-00000NFJ, AKOS JY2083583, DTXSID10397998, OTAVA-BB 1149671, QMSCXKCJGFIXDF-UHFFFAOYSA-N, ACT13023, ZINC2582713, ANW-48945, BBL020581, GEO-01830, MFCD02664476, SBB010575, STK893270, AKOS000118397, AC-9841, AS-5465, AS02121, ASINEX-REAG BAS 12768064, CM-1083, CS-W005497, MCULE-4659714822, RD-0146, VI30082, 1H-Indole-2-carboxylicacid, 4-methyl-, NCGC00337417-01, 1H-Indole-2-carboxylic acid, 4-methyl-, AJ-43132, AK-33829, BR-33829, SC-46080, AB0001752, AB1005676, DB-004734, ST2418469, TR-056260, 4CH-015430, BB 0248961, FT-0637704, ST50294004, W3993, EN300-15103, A22132, S-5709, AB01330548-02, 4-Methyl-1H-indole-2-carboxylic acid, AldrichCPR, 474M572, I10-0092, J-521532, Z199054776, 3,4,5,6-Tetrachloro-2-(1,4,5,8-tetrabromo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid disodium salt, Phloxine B, Eosin 10B, C10H9NO2, 4-methyl-Indole-2-carboxylicacid, ACN-026619, CID3926087, C.I. 45410, 2',4',5',7'-Tetrabromo-4,5,6,7-tetrachlorofluorescein disodium salt,

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	2.7

GHS Hazard and Precautionary Statements

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

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