AG003I5D

93524-95-9 | 3-(pyridin-4-yl)prop-2-yn-1-ol

AG003I5D

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CAS Number	93524-95-9
Catalog Number	AG003I5D(AGN-PC-0NI0I9)
Chemical Name	3-(pyridin-4-yl)prop-2-yn-1-ol
IUPAC Name	3-pyridin-4-ylprop-2-yn-1-ol
InChI	InChI=1S/C8H7NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,7H2
InChI Key	QYFHTILWEGBMKR-UHFFFAOYSA-N
MDL Number	MFCD00168868
Molecular Formula	C8H7NO
Molecular Weight	133.1473
SMILES	OCC#CC1=CC=NC=C1
Synonyms	93524-95-9, 3-(4-Pyridyl)-2-propyn-1-ol, 3-(Pyridin-4-yl)prop-2-yn-1-ol, 2-Propyn-1-ol, 3-(4-pyridinyl)-, 3-(4-Pyridinyl)-2-propyn-1-ol, SCHEMBL6500070, 3-pyridin-4-ylprop-2-yn-1-ol, QYFHTILWEGBMKR-UHFFFAOYSA-N, 1-(4-Pyridyl)-1-propine-3-ol, 3-(4-Pyridyl)-2-propyne-1-ol, 5668AJ, MFCD00168868, ZINC22203546, AKOS004117753, TRA0041840, KS-0000091E, AJ-81289, AS-32209, CJ-17361, SY022164, Z-3361, MFCD00168868 (97+%), F8883-4477, C8H7NO, 2-Propyn-1-ol, 3-(4-pyridinyl)- (9CI), 10318-18-0,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	133.15g/mol
Monoisotopic Mass	133.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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