AG002HFJ

188861-58-7 | Ethyl isoquinoline-6-carboxylate

AG002HFJ

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CAS Number	188861-58-7
Catalog Number	AG002HFJ(AGN-PC-03KSSZ)
Chemical Name	Ethyl isoquinoline-6-carboxylate
IUPAC Name	ethyl isoquinoline-6-carboxylate
InChI	InChI=1S/C12H11NO2/c1-2-15-12(14)10-3-4-11-8-13-6-5-9(11)7-10/h3-8H,2H2,1H3
InChI Key	XZSXCFWWZHTJMU-UHFFFAOYSA-N
MDL Number	MFCD18416669
Molecular Formula	C12H11NO2
Molecular Weight	201.2212
SMILES	CCOC(=O)C1=CC2=C(C=C1)C=NC=C2
Synonyms	ethyl isoquinoline-6-carboxylate, 188861-58-7, Ethyl 6-Isoquinolinecarboxylate, AK-76194, 6-Isoquinolinecarboxylic acid, ethyl ester, SCHEMBL6041578, KS-00000PD8, 6810AJ, MFCD18416669, ZINC90470773, AM803426, BBV-45152889, DS-16612, SY022492, AJ-128757, AX8220781, TC-308318, CS-0036190, MFCD18416669 (95%), C12H11NO2, 110-70-3,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.225g/mol
Monoisotopic Mass	201.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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