AG005TKG

698-30-6 | 5-(Hydroxymethyl)-2-methylpyrimidin-4(1H)-one

AG005TKG

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CAS Number	698-30-6
Catalog Number	AG005TKG(AGN-PC-0OGTHO)
Chemical Name	5-(Hydroxymethyl)-2-methylpyrimidin-4(1H)-one
IUPAC Name	5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one
InChI	InChI=1S/C6H8N2O2/c1-4-7-2-5(3-9)6(10)8-4/h2,9H,3H2,1H3,(H,7,8,10)
InChI Key	ATTZFOQANXUZIP-UHFFFAOYSA-N
MDL Number	MFCD08704419
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	CC1=NC(O)=C(CO)C=N1
Synonyms	698-30-6, 5-(HYDROXYMETHYL)-2-METHYLPYRIMIDIN-4-OL, CTK8C1012, DTXSID70563935, ANW-65717, ZINC25491460, AKOS006289777, AKOS016005452, AB48547, 5-(Hydroxymethyl)-2-methylpyrimidine-4-ol, 2-methyl-4-hydroxy-5-hydroxymethylpyrimidine, 4CH-006505, FT-0707640, ST24032880, J3.664.466D, EN300-119136, 5-(Hydroxymethyl)-2-methylpyrimidin-4(3H)-one, 5-(HYDROXYMETHYL)-2-METHYL-4(1H)-PYRIMIDINONE, 5-(Hydroxymethyl)-2-methylpyrimidin-4(1H)-one, 5- -2-METHYLPYRIMIDIN-4-OL, AJ-82002, CJ-17421, 4(1H)-Pyrimidinone, 5-(hydroxymethyl)-2-methyl- (9CI),

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.058578g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	140.14g/mol
Monoisotopic Mass	140.058578g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.7Ų
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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number