AG002SNL

26304-51-8 | 1H-Indole-2-carboxylic acid, 3-methyl-, ethyl ester

AG002SNL

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CAS Number	26304-51-8
Catalog Number	AG002SNL(AGN-PC-0JTGUB)
Chemical Name	1H-Indole-2-carboxylic acid, 3-methyl-, ethyl ester
IUPAC Name	ethyl 3-methyl-1H-indole-2-carboxylate
InChI	InChI=1S/C12H13NO2/c1-3-15-12(14)11-8(2)9-6-4-5-7-10(9)13-11/h4-7,13H,3H2,1-2H3
InChI Key	OZQXZSIVKVCSDF-UHFFFAOYSA-N
MDL Number	MFCD00225365
Molecular Formula	C12H13NO2
Molecular Weight	203.2371
SMILES	O=C(C(N1)=C(C)C2=C1C=CC=C2)OCC
Synonyms	Ethyl 3-methyl-1H-indole-2-carboxylate, 26304-51-8, ethyl 3-methylindole-2-carboxylate, 1H-Indole-2-carboxylic acid, 3-methyl-, ethyl ester, 20032-31-9, ETHYL3-METHYL-2-INDOLECARBOXYLATE, BAS 01507320, ethyl 3-METHYL-2-INDOLECARBOXYLATE, OZQXZSIVKVCSDF-UHFFFAOYSA-N, 3-Methyl-1H-indole-2-carboxylic acid ethyl ester, AC1LC40O, 3-Methyl-2-carbethoxyindole, KSC193G9P, SCHEMBL2880010, CTK0J3397, KS-00000ZYN, ZINC374968, ALBB-007638, ZX-AN007146, ethyl 3-methyl-indole-2-carboxylate, 6-BroMo-1H-indole-4-carboxylicacid, ANW-45799, CE-773, MFCD00225365, STK504676, AKOS004119494, MCULE-2629036332, QC-9203, RTR-009331, AJ-20309, AK-87672, CJ-03066, AB0023834, AX8182268, DB-066039, Ethyl 3-methyl-1H-indole-2-carboxylate #, TR-009331, E1090, FT-0679351, FT-0688154, ST24030571, W4975, 3-Methylindole-2-carboxylic Acid Ethyl Ester, SR-01000357699, Ethyl 3-methyl-1H-indole-2-carboxylate, AldrichCPR, I10-1226, SR-01000357699-1, InChI=1/C12H13NO2/c1-3-15-12(14)11-8(2)9-6-4-5-7-10(9)13-11/h4-7,13H,3H2,1-2H, 2-methyl-1-vinyl-1H-pyrrole, C12H13NO2, 1H-pyrrole, 1-ethenyl-2-methyl-, CID593963, ethyl3-methyl-1H-indole-2-carboxylate,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.241g/mol
Monoisotopic Mass	203.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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