AG003CIR

5096-11-7 | (S)-3-(1-Hydroxyethyl)pyridine

AG003CIR

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CAS Number	5096-11-7
Catalog Number	AG003CIR(AGN-PC-0S9DZY)
Chemical Name	(S)-3-(1-Hydroxyethyl)pyridine
IUPAC Name	(1S)-1-pyridin-3-ylethanol
InChI	InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3/t6-/m0/s1
InChI Key	QMDUEBURHKSKDG-LURJTMIESA-N
MDL Number	MFCD00058156
Molecular Formula	C7H9NO
Molecular Weight	123.1525
SMILES	C[C@@H](C1=CC=CN=C1)O
Synonyms	5096-11-7, (S)-1-(3-PYRIDYL)ETHANOL, (S)-3-(1-Hydroxyethyl)pyridine, (S)-1-(Pyridin-3-yl)ethanol, (1S)-1-(pyridin-3-yl)ethan-1-ol, AC1Q29NY, (S)-l-(3-pyridyl)ethanol, (s)-1-(3-pyridyl)-ethanol, (1S)-1-(3-pyridyl)ethanol, SCHEMBL2789978, CTK4J3402, QMDUEBURHKSKDG-LURJTMIESA-N, ZINC393774, (-)-(S)-1-(3-pyridyl)ethanol, (1S)-1-(3-pyridyl)ethan-1-ol, (S)-3-(1-Hydroxyethyl) pyridine, (S)-(-)-1-(3-Pyridyl)ethanol, (S)-1-(pyridin-3-yl)ethan-1-ol, 7054AB, ANW-59172, CP-528, MFCD07368884, SBB064273, AKOS016842966, VP13935, 3-Pyridinemethanol, a-methyl-, (aS)-, AJ-21310, CJ-03594, CS-11176, ZB012276, TC-147917, FT-0660026, EN300-60939, Z-4042, I01-4525, 3-Pyridylmethylcarbinol, C7H9NO, CID10725338, 3-Pyridinemethanol, alpha-methyl-, (alphaS)-,

Complexity	85
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	123.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	123.155g/mol
Monoisotopic Mass	123.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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