AG003DWI

118972-96-6 | 1-Acetyl-3-hydroxyazetidine

AG003DWI

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CAS Number	118972-96-6
Catalog Number	AG003DWI(AGN-PC-0NF9BM)
Chemical Name	1-Acetyl-3-hydroxyazetidine
IUPAC Name	1-(3-hydroxyazetidin-1-yl)ethanone
InChI	InChI=1S/C5H9NO2/c1-4(7)6-2-5(8)3-6/h5,8H,2-3H2,1H3
InChI Key	CSJAIVZAJZXEAW-UHFFFAOYSA-N
MDL Number	MFCD07366667
Molecular Formula	C5H9NO2
Molecular Weight	115.1305
SMILES	CC(N1CC(O)C1)=O
Synonyms	118972-96-6, 1-ACETYL-3-HYDROXYAZETIDINE, 1-(3-hydroxyazetidin-1-yl)ethanone, 3-Azetidinol, 1-acetyl-, 1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, ACMC-20dktz, 1-acetylazetidin-3-ol, SCHEMBL48889, 1-ACETYL-3-AZETIDINOL, CTK0F9686, DTXSID60453699, CSJAIVZAJZXEAW-UHFFFAOYSA-N, MFCD07366667, ZINC34621547, 1-(3-Hydroxyazetidin-1-yl);ethanone, AKOS012406801, PB10405, RP19189, TRA0051363, KS-000007Q9, 1-(3-hydroxy-1-azetidinyl)-1-ethanone, AJ-89824, AK-40495, CJ-18523, DS-13580, SC-93602, SY005005, AB0066366, AB1000321, DB-061461, TC-306638, FT-0724867, Z8057, Q-1272, MFCD07366667 (97+%), J-504160, I14-17366, null, C5H9NO2, CID11062345, 103-69-5, 362527-61-5,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	115.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	115.132g/mol
Monoisotopic Mass	115.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

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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