AG00CSVF

395652-44-5 | 3-Butyn-1-ol, 4-(2-pyridinyl)- (9CI)

AG00CSVF

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CAS Number	395652-44-5
Catalog Number	AG00CSVF(AGN-PC-0NECIP)
Chemical Name	3-Butyn-1-ol, 4-(2-pyridinyl)- (9CI)
IUPAC Name	4-pyridin-2-ylbut-3-yn-1-ol
InChI	InChI=1S/C9H9NO/c11-8-4-2-6-9-5-1-3-7-10-9/h1,3,5,7,11H,4,8H2
InChI Key	WYJPBKGKJJFGPR-UHFFFAOYSA-N
MDL Number	MFCD18384524
Molecular Formula	C9H9NO
Molecular Weight	147.1739
NSC Number	728896
SMILES	OCCC#CC1=NC=CC=C1
Synonyms	4-(Pyridin-2-yl)but-3-yn-1-ol, 395652-44-5, 4-(2-Pyridyl)-3-butyn-1-ol, 4-pyridin-2-ylbut-3-yn-1-ol, 3-Butyn-1-ol, 4-(2-pyridinyl)- (9CI), SCHEMBL102810, CTK8I5716, WYJPBKGKJJFGPR-UHFFFAOYSA-, WYJPBKGKJJFGPR-UHFFFAOYSA-N, 4-(2-Pyridyl)-3-butyne-1-ol, 4-(2-pyridyl)-but-3-yn-1-ol, 6013AJ, MFCD18384524, NSC728896, ZINC34599012, AKOS012989371, DS-8634, NSC-728896, AJ-89663, AK146719, SY022159, MFCD18384524 (95%), InChI=1/C9H9NO/c11-8-4-2-6-9-5-1-3-7-10-9/h1,3,5,7,11H,4,8H2, C9H9NO, 3-Butyn-1-ol,4- -, CID11008063,

Complexity	165
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	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number