AG00AP52

172595-68-5 | Methyl 5-methoxy-1H-indole-3-carboxylate

AG00AP52

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CAS Number	172595-68-5
Catalog Number	AG00AP52(AGN-PC-03YOL5)
Chemical Name	Methyl 5-methoxy-1H-indole-3-carboxylate
IUPAC Name	methyl 5-methoxy-1H-indole-3-carboxylate
InChI	InChI=1S/C11H11NO3/c1-14-7-3-4-10-8(5-7)9(6-12-10)11(13)15-2/h3-6,12H,1-2H3
InChI Key	ODBFYEWPUQVAKY-UHFFFAOYSA-N
MDL Number	MFCD06203662
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	O=C(C1=CNC2=C1C=C(OC)C=C2)OC
Synonyms	methyl 5-methoxy-1H-indole-3-carboxylate, 172595-68-5, 5-METHOXY-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER, KSC496M7N, SCHEMBL5068806, CTK3J6676, DTXSID30630531, ODBFYEWPUQVAKY-UHFFFAOYSA-N, BCP27042, KS-00000K0R, AB1523, ANW-45993, Methyl 5-methoxy-3-indolecarboxylate, Methyl 5-methoxyindole-3-carboxylate, MFCD06203662, ZINC35323030, AKOS015851469, CM-1761, QC-1580, RTC-010162, AJ-91277, AK-63414, AN-30829, CJ-18737, DS-15242, EN000757, SC-61159, SC-63800, SY058807, AB0022825, ST2419600, TC-010162, CS-0042964, FT-0688130, W3765, MFCD06203662 (95%), A-7562, 595M685, 1H-Indole-3-carboxylic acid,5-methoxy-,methylester, I10-0800, 1H-INDOLE-3-CARBOXYLIC ACID,5-METHOXY-,METHYL ESTE, 1H-INDOLE-3-CARBOXYLIC ACID,5-METHOXY-,METHYL ESTER, C11H11NO3, A15297,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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