AG002G68

192643-83-7 | 3-Butyn-1-ol, 4-(4-pyridinyl)-

AG002G68

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CAS Number	192643-83-7
Catalog Number	AG002G68(AGN-PC-0NI0IB)
Chemical Name	3-Butyn-1-ol, 4-(4-pyridinyl)-
IUPAC Name	4-pyridin-4-ylbut-3-yn-1-ol
InChI	InChI=1S/C9H9NO/c11-8-2-1-3-9-4-6-10-7-5-9/h4-7,11H,2,8H2
InChI Key	VQXIXEAYMBFYMT-UHFFFAOYSA-N
MDL Number	MFCD18384538
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	OCCC#CC1=CC=NC=C1
Synonyms	4-(Pyridin-4-yl)but-3-yn-1-ol, 192643-83-7, 4-(4-Pyridyl)-3-butyn-1-ol, 4-Pyridin-4-ylbut-3-yn-1-ol, SCHEMBL6980856, VQXIXEAYMBFYMT-UHFFFAOYSA-N, 4-(4-Pyridyl)-3-butyne-1-ol, 6016AJ, MFCD18384538, ZINC38881657, 3-Butyn-1-ol, 4-(4-pyridinyl)-, AKOS012990195, DS-8632, KS-0000091C, AJ-97062, AK146717, SY022157, TC-307527, FT-0735078, MFCD18384538 (95%), C9H9NO, 3-Butyn-1-ol, 4-(4-pyridinyl)- (9CI), 204078-32-0,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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