AG007670

1203579-37-6 | (Isoquinolin-5-yl)acetylene

AG007670

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CAS Number	1203579-37-6
Catalog Number	AG007670(AGN-PC-09MQQM)
Chemical Name	(Isoquinolin-5-yl)acetylene
IUPAC Name	5-ethynylisoquinoline
InChI	InChI=1S/C11H7N/c1-2-9-4-3-5-10-8-12-7-6-11(9)10/h1,3-8H
InChI Key	YBMNMHGMBRLEPL-UHFFFAOYSA-N
MDL Number	MFCD07644619
Molecular Formula	C11H7N
Molecular Weight	153.1800
SMILES	C#CC1=CC=CC2=C1C=CN=C2
Synonyms	5-Ethynylisoquinoline, 1203579-37-6, (Isoquinolin-5-yl)acetylene, CTK8B4863, DTXSID80680920, ANW-46550, MFCD07644619, ZINC19722015, AKOS010651450, DS-1778, FS-3459, MP-1399, AJ-74429, AK-37071, CJ-16286, AB0035140, ST2418759, TC-135295, 4CH-013723, X9421, Z1741979245, C11H7N,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.184g/mol
Monoisotopic Mass	153.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12.9A^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

Certificate of Analysis

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