AG003QCP

7598-91-6 | Ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate

AG003QCP

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CAS Number	7598-91-6
Catalog Number	AG003QCP(AGN-PC-0JLTO3)
Chemical Name	Ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
EC Number	231-507-7
IUPAC Name	ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
InChI	InChI=1S/C12H13NO3/c1-3-16-12(15)11-7(2)13-10-5-4-8(14)6-9(10)11/h4-6,13-14H,3H2,1-2H3
InChI Key	BSNHKSUAAMJXBB-UHFFFAOYSA-N
MDL Number	MFCD00044575
Molecular Formula	C12H13NO3
Molecular Weight	219.2365
NSC Number	405600
SMILES	O=C(C1=C(C)NC2=C1C=C(O)C=C2)OCC
Synonyms	7598-91-6, Ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate, Ethyl 5-hydroxy-2-methylindole-3-carboxylate, 2-Methyl-3-carbethoxy-5-hydroxyindole, 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester, BSNHKSUAAMJXBB-UHFFFAOYSA-N, 5-Hydroxy-2-methylindole-3-carboxylic acid ethyl ester, 5-Hydroxy-2-methyl-1H-indole-3-carboxylic acid ethyl ester, Mecarbin, EINECS 231-507-7, NSC405600, Enamine_001244, Ethyl5-hydroxy-2-methylindole-3-carboxylate, AC1L32OX, AC1Q32UF, AC1Q32UG, AC1Q64RR, Oprea1_574903, cid_82073, MLS000052950, BIDD:GT0194, SCHEMBL2005093, CHEMBL1366600, BDBM32211, CTK5E2316, ZINC34675, DTXSID40226883, HMS1397I12, HMS2375G22, ALBB-016092, KS-000029SO, 1811AC, AM1180, BBL012755, CCG-41544, MFCD00044575, SBB003364, STK747060, 3-carbethoxy-5-hydroxy-2-methylindole, AKOS000275081, CS-W010473, MCULE-6493490533, NSC-405600, SDCCGMLS-0034936.P002, SDCCGMLS-0034936.P003, TRA0077016, WT82587, AC-23422, AJ-08602, BAS 00793700, BP-13118, NS-00007, SMR000068907, ST050314, ZB000943, DB-056009, FT-0620465, EN300-31513, ethyl 5-hydroxy-2-methyl-indole-3-carboxylate, H-6800, 598E916, SR-01000508033, ethyl 2-methyl-5-oxidanyl-1H-indole-3-carboxylate, Ethyl 5-hydroxy-2-methylindole-3-carboxylate, 97%, I10-1401, SR-01000508033-1, SR-01000508033-3, Ethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate #, Z56790866, F2137-0002, A0258/0011669, 1H-Indole-3-carboxylicacid, 5-hydroxy-2-methyl-, ethyl ester, 5-hydroxy-2-methyl-1H-indole-3-carboxylic acid, ethyl ester, Ethyl, C12H13NO3, CID82073, AR-1E3564, C12-H13-N-O3, ACN-031682, A-9300, Ethyl5-hydroxy-2-methyl-1H-indole-3-carboxylate, 80061-37-6,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	219.24g/mol
Monoisotopic Mass	219.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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