AG00CK5P

407623-83-0 | Ethyl 7-isoquinolinecarboxylate

AG00CK5P

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CAS Number	407623-83-0
Catalog Number	AG00CK5P(AGN-PC-03SUAZ)
Chemical Name	Ethyl 7-isoquinolinecarboxylate
IUPAC Name	ethyl isoquinoline-7-carboxylate
InChI	InChI=1S/C12H11NO2/c1-2-15-12(14)10-4-3-9-5-6-13-8-11(9)7-10/h3-8H,2H2,1H3
InChI Key	SLGGUHTWKIMKSM-UHFFFAOYSA-N
MDL Number	MFCD18416670
Molecular Formula	C12H11NO2
Molecular Weight	201.2212
SMILES	CCOC(=O)C1=CC2=C(C=CN=C2)C=C1
Synonyms	Ethyl isoquinoline-7-carboxylate, 407623-83-0, AK100920, 7-ethoxycarbonylisoquinoline, Ethyl 7-isoquinolinecarboxylate, SCHEMBL5744947, CTK8C3203, DTXSID60627151, SLGGUHTWKIMKSM-UHFFFAOYSA-N, 5543AB, ANW-69806, MFCD18416670, ZINC82046838, AKOS016001744, DS-3649, 7-Isoquinolinecarboxylic acid, ethyl ester, Isoquinoline-7-carboxylic acid ethyl ester, AJ-124533, AX8241827, TC-158551, ST24025066, Ethylisoquinoline-7-carboxylate, C12H11NO2,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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