AG000ZI7

131610-03-2 | (E)-3-(2-Pyridinyl)-2-propen-1-ol

AG000ZI7

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CAS Number	131610-03-2
Catalog Number	AG000ZI7(AGN-PC-00O9UR)
Chemical Name	(E)-3-(2-Pyridinyl)-2-propen-1-ol
IUPAC Name	(E)-3-pyridin-2-ylprop-2-en-1-ol
InChI	InChI=1S/C8H9NO/c10-7-3-5-8-4-1-2-6-9-8/h1-6,10H,7H2/b5-3+
InChI Key	SDTYYJCFJVDMLT-HWKANZROSA-N
MDL Number	MFCD18384384
Molecular Formula	C8H9NO
Molecular Weight	135.1632
SMILES	OCC=Cc1ccccn1
Synonyms	3-(2-Pyridyl)-2-propen-1-ol, 131610-03-2, 113985-52-7, (E)-3-(2-pyridinyl)-2-Propen-1-ol, (E)-3-(Pyridin-2-yl)prop-2-en-1-ol, 3-(PYRIDIN-2-YL)PROP-2-EN-1-OL, 2-Propen-1-ol, 3-(2-pyridinyl)-, (E)-, SCHEMBL3260153, SCHEMBL6140060, SDTYYJCFJVDMLT-HWKANZROSA-N, 5626AJ, MFCD18384384, ZINC34172656, 2-Propen-1-ol, 3-(2-pyridinyl)-, AKOS015856231, (E)-3-(2-pyridyl)-2-propen-1-ol, FCH2619533, FCH4114941, AJ-87303, AS-32095, BBV-41808722, CJ-18224, CS-11479, AX8268729, TC-307184, TX-011398, Z-4678, C8H9NO, 2-Propen-1-ol,3-(2-pyridinyl)-,(E)-(9CI), 2-Propen-1-ol, 3-(2-pyridinyl)-, (E)- (9CI), 438631-77-7,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	135.068g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	135.166g/mol
Monoisotopic Mass	135.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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