AG00KF49

852471-15-9 | 1-acetyl-2,3-dihydro-1H-pyrazol-3-one

AG00KF49

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CAS Number	852471-15-9
Catalog Number	AG00KF49(AGN-PC-0H3A91)
Chemical Name	1-acetyl-2,3-dihydro-1H-pyrazol-3-one
IUPAC Name	2-acetyl-1H-pyrazol-5-one
InChI	InChI=1S/C5H6N2O2/c1-4(8)7-3-2-5(9)6-7/h2-3H,1H3,(H,6,9)
InChI Key	QAYRLKNRVJVHDK-UHFFFAOYSA-N
MDL Number	MFCD25970218
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
SMILES	C(C)(=O)N1NC(C=C1)=O
Synonyms	852471-15-9, 1-Acetyl-1H-pyrazol-3(2H)-one, 1-Acetyl-1,2-dihydro-3H-pyrazol-3-one, 1-(3-hydroxypyrazol-1-yl)ethanone, 1-(3-hydroxy-1H-pyrazol-1-yl)ethan-1-one, 2-acetyl-1H-pyrazol-5-one, 1-acetyl-1H-pyrazol-3-ol, 1-acetyl-3-hydroxy-pyrazole, 1-acetyl-1H-pyrazole-3-ol, SCHEMBL1359469, KS-00002BHL, 1-Acetyl-3-hydroxy-1H-pyrazole, QAYRLKNRVJVHDK-UHFFFAOYSA-N, KS-00000U7Q, MFCD25970218, AKOS030524231, ZINC115961954, SS-5117, AK676222, ACN-037083,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.043g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.115g/mol
Monoisotopic Mass	126.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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