AG00621W

67929-86-6 | 5-Methoxy-1H-indole-2-carboxylic acid methyl ester

AG00621W

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CAS Number	67929-86-6
Catalog Number	AG00621W(AGN-PC-0KK2QX)
Chemical Name	5-Methoxy-1H-indole-2-carboxylic acid methyl ester
EC Number	267-811-1
IUPAC Name	methyl 5-methoxy-1H-indole-2-carboxylate
InChI	InChI=1S/C11H11NO3/c1-14-8-3-4-9-7(5-8)6-10(12-9)11(13)15-2/h3-6,12H,1-2H3
InChI Key	OXXJVMUTSUYQBR-UHFFFAOYSA-N
MDL Number	MFCD01074509
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	O=C(C(N1)=CC2=C1C=CC(OC)=C2)OC
Synonyms	67929-86-6, Methyl 5-methoxyindole-2-carboxylate, Methyl 5-methoxy-1H-indole-2-carboxylate, 5-methoxy-1H-indole-2-carboxylic acid methyl ester, EINECS 267-811-1, methyl 5-methoxy-2-indolecarboxylate, AC1MBN3F, Oprea1_041586, SCHEMBL1104006, CTK5C6962, ZINC83618, OXXJVMUTSUYQBR-UHFFFAOYSA-N, 1H-INDOLE-2-CARBOXYLIC ACID, 5-METHOXY-, METHYL ESTER, 0469AC, ANW-59181, CM-859, MFCD01074509, methyl 5-methoxy-1H-indolecarboxylate, AKOS004119469, AB08027, CCG-247447, MCULE-5435343455, RP26158, AJ-10648, AS-47541, SC-97950, ZB002974, ST2407285, TC-147926, 4CH-017567, Z-4791, 5-Methoxy-1H-indole-2-carboxylicacidmethylester, A835938, 1H-Indole-2-carboxylicacid,5-methoxy-,methyl ester, 1H-Indole-2-carboxylicacid, 5-methoxy-, methyl ester, 5-METHOXYINDOLE-2-CARBOXYLIC ACID METHYL ESTER, C11H11NO3, C11-H11-N-O3, ZINC00083618, CID2728184, M-3508,

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	2.4

GHS Hazard and Precautionary Statements

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

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