AG01DHE3

1202769-93-4 | 3-Ethynyl-3-Hydroxy-1-Methylpyrrolidin-2-One

AG01DHE3

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CAS Number	1202769-93-4
Catalog Number	AG01DHE3(AGN-PC-0WQVNM)
Chemical Name	3-Ethynyl-3-Hydroxy-1-Methylpyrrolidin-2-One
IUPAC Name	3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one
InChI	InChI=1S/C7H9NO2/c1-3-7(10)4-5-8(2)6(7)9/h1,10H,4-5H2,2H3
InChI Key	RKJOSOCBDGSTIJ-UHFFFAOYSA-N
MDL Number	MFCD28361627
Molecular Formula	C7H9NO2
Molecular Weight	139.1519
SMILES	C(#C)C1(C(N(CC1)C)=O)O
Synonyms	3-ethynyl-3-hydroxy-1-methylpyrrolidin-2-one, 1202769-93-4, 2-Pyrrolidinone, 3-ethynyl-3-hydroxy-1-methyl-, SCHEMBL11970446, RKJOSOCBDGSTIJ-UHFFFAOYSA-N, MFCD28361627,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.063g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.154g/mol
Monoisotopic Mass	139.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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