AG005BLE

76518-57-5 | Isoquinolin-5-ylmethanol

AG005BLE

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CAS Number	76518-57-5
Catalog Number	AG005BLE(AGN-PC-0NKH47)
Chemical Name	Isoquinolin-5-ylmethanol
IUPAC Name	isoquinolin-5-ylmethanol
InChI	InChI=1S/C10H9NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-6,12H,7H2
InChI Key	HSPKIXPRSRGOQK-UHFFFAOYSA-N
MDL Number	MFCD03840599
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	OCC1=CC=CC2=C1C=CN=C2
Synonyms	Isoquinolin-5-ylmethanol, 76518-57-5, 5-Isoquinolinemethanol, 5-HYDROXYMETHYLISOQUINOLINE, (Isoquinolin-5-yl)methanol, 5-(hydroxymethyl)isoquinoline, SCHEMBL843640, CTK8B7249, DTXSID50511030, HSPKIXPRSRGOQK-UHFFFAOYSA-N, ZINC2513732, ANW-56818, MFCD03840599, AKOS003237579, AJ-36869, DA-03555, SC-73829, TC-145563, FT-0694766, ST24030806, A-7342, J-521583, (Isoquinolin-8-yl)methanol, ISOQUINOLIN-8-YLMETHANOL, 8-(Hydroxymethyl)isoquinoline, MFCD11869736, N/A, 1159511-15-5,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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