AG00ECQD

577780-05-3 | 2-Pyrrolidinone,3-(hydroxymethyl)-1-methyl-(9CI)

AG00ECQD

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CAS Number	577780-05-3
Catalog Number	AG00ECQD(AGN-PC-0JSILS)
Chemical Name	2-Pyrrolidinone,3-(hydroxymethyl)-1-methyl-(9CI)
IUPAC Name	3-(hydroxymethyl)-1-methylpyrrolidin-2-one
InChI	InChI=1S/C6H11NO2/c1-7-3-2-5(4-8)6(7)9/h5,8H,2-4H2,1H3
InChI Key	DOKXBBFVQUNEMW-UHFFFAOYSA-N
MDL Number	MFCD18816870
Molecular Formula	C6H11NO2
Molecular Weight	129.1570
SMILES	O=C1N(C)CCC1CO
Synonyms	3-(hydroxymethyl)-1-methylpyrrolidin-2-one, 577780-05-3, 3-(Hydroxymethyl)-1-methyl-2-pyrrolidinone, N-Methyl-3-hydroxymethylpyrrolidin-2-one, DOKXBBFVQUNEMW-UHFFFAOYSA-N, 2-Pyrrolidinone, 3-(hydroxymethyl)-1-methyl-, 2-Pyrrolidinone,3-(hydroxymethyl)-1-methyl-(9CI), AC1LBHK3, SCHEMBL4062968, CTK6I2252, DTXSID20336732, KS-00000RF0, MFCD18816870, AKOS016015057, CS-W018824, AK130651, SC-68667, SY023947, ST2404818, 4CH-017969, MFCD18816870 (95%), 3-(Hydroxymethyl)-1-methyl-2-pyrrolidinone #, F9994-5475, CID535874, ACN-029342, 2-Pyrrolidinone, 3-(hydroxymethyl)-1-methyl- (9CI),

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	129.159g/mol
Monoisotopic Mass	129.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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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