AG00078Q

10234-66-9 | 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-

AG00078Q

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CAS Number	10234-66-9
Catalog Number	AG00078Q(AGN-PC-0N207S)
Chemical Name	3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-
IUPAC Name	2-methyl-4H-pyrazol-3-one
InChI	InChI=1S/C4H6N2O/c1-6-4(7)2-3-5-6/h3H,2H2,1H3
InChI Key	NNZXDXMEXBYSRF-UHFFFAOYSA-N
MDL Number	MFCD20229439
Molecular Formula	C4H6N2O
Molecular Weight	98.1032
SMILES	O=C1CC=NN1C
Synonyms	1-methyl-1H-pyrazol-5(4H)-one, 10234-66-9, 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-, 1-methyl-4,5-dihydro-1H-pyrazol-5-one, 2,4-dihydro-2-methyl-3H-pyrazol-3-one, 1-methyl-2-pyrazolin-5-one, methyl-1h-pyrazol-5(4h)-one, CTK0G7656, KS-00000PFL, DTXSID10437803, NNZXDXMEXBYSRF-UHFFFAOYSA-N, 2-methyl-2,4-dihydropyrazol-3-one, 0601AA, MFCD20229439, AKOS016000947, ZINC100003567, ACN-000990, NE57326, AK128438, ST24038083, 2-methyl-4H-pyrazol-3-one, C4H6N2O, CID10290752,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.048g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	98.105g/mol
Monoisotopic Mass	98.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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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