AG005Q79

77140-48-8 | 4-Hydroxy-6-methoxycarbonyl indole

AG005Q79

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CAS Number	77140-48-8
Catalog Number	AG005Q79(AGN-PC-00NIIJ)
Chemical Name	4-Hydroxy-6-methoxycarbonyl indole
IUPAC Name	methyl 4-hydroxy-1H-indole-6-carboxylate
InChI	InChI=1S/C10H9NO3/c1-14-10(13)6-4-8-7(2-3-11-8)9(12)5-6/h2-5,11-12H,1H3
InChI Key	YCLHTEHHXRJHKC-UHFFFAOYSA-N
MDL Number	MFCD04973985
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	O=C(C1=CC2=C(C(O)=C1)C=CN2)OC
Synonyms	Methyl 4-hydroxy-1H-indole-6-carboxylate, 77140-48-8, 4-HYDROXY-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTER, 4-Hydroxy-6-methoxycarbonyl indole, Methyl 4-hydroxyindole-6-carboxylate, 1H-Indole-6-carboxylic acid, 4-hydroxy-, methyl ester, SCHEMBL3578888, CTK5E3888, DTXSID50545779, YCLHTEHHXRJHKC-UHFFFAOYSA-N, KS-00000O4S, ZINC2541462, CM-809, MFCD04973985, RW3775, AKOS006240491, CS-W006867, DS-2775, FS-3753, QC-3142, SB14878, AJ-39179, AK113576, CJ-09243, AB0058303, DB-075237, ST2419586, 4CH-015945, FT-0693559, Z5114, 4-hydroxy-6-methoxycarbonyl indole, AldrichCPR, L-1682, A1-04771, C10H9NO3, 4-HYDROXY-1H-INDOLE-6-CARBOXYLICACIDMETHYLESTER,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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