AG0004NB

1015070-57-1 | Isoquinoline, 6-ethynyl-

AG0004NB

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CAS Number	1015070-57-1
Catalog Number	AG0004NB(AGN-PC-0C6KBU)
Chemical Name	Isoquinoline, 6-ethynyl-
IUPAC Name	6-ethynylisoquinoline
InChI	InChI=1S/C11H7N/c1-2-9-3-4-11-8-12-6-5-10(11)7-9/h1,3-8H
InChI Key	ULAVHAJIBKHAPF-UHFFFAOYSA-N
MDL Number	MFCD12406191
Molecular Formula	C11H7N
Molecular Weight	153.1800
SMILES	C#CC1=CC2=C(C=C1)C=NC=C2
Synonyms	6-Ethynylisoquinoline, 1015070-57-1, Isoquinoline, 6-ethynyl-, SCHEMBL1519614, CTK8C3182, DTXSID00728454, ULAVHAJIBKHAPF-UHFFFAOYSA-N, ANW-69782, ZINC82046848, AKOS016001963, AJ-124543, TC-158527, ST24024381, Y5143, A1-02128, 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-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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