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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-methyl-1H-indole-4-carboxylic acid

OC(=O)c1cccc2c1c(C)c[nH]2 Request for Quotation
Chemical Name: 3-methyl-1H-indole-4-carboxylic acid
CAS Number: 1159511-18-8
Product Number: AG000H5C(AGN-PC-071348)
Synonyms:
MDL No:
Molecular Formula: C10H9NO2
Molecular Weight: 175.1840

Identification/Properties

Computed Properties
Molecular Weight:
175.187g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
175.063g/mol
Monoisotopic Mass:
175.063g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
217
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Methyl-1H-indole-4-carboxylic acid is a versatile building block with significant applications in chemical synthesis. This compound plays a crucial role in the formation of various pharmaceuticals, agrochemicals, and organic materials. Its functional groups make it an essential intermediate in the synthesis of complex molecules by providing sites for further chemical modification.