AG0002XB

1008-79-3 | 3H-Pyrazol-3-one, 1,2-dihydro-1-phenyl-

AG0002XB

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CAS Number	1008-79-3
Catalog Number	AG0002XB(AGN-PC-0JTHC2)
Chemical Name	3H-Pyrazol-3-one, 1,2-dihydro-1-phenyl-
IUPAC Name	2-phenyl-1H-pyrazol-5-one
InChI	InChI=1S/C9H8N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
InChI Key	MKMDCEXRIPLNGJ-UHFFFAOYSA-N
MDL Number	MFCD00129721
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
SMILES	O=C1N=CN(C1)c1ccccc1
Synonyms	1008-79-3, 1-phenyl-1H-pyrazol-3(2H)-one, 1-Phenyl-1,2-dihydro-3H-pyrazol-3-one, 1-phenyl-2,3-dihydro-1H-pyrazol-3-one, 1-phenyl-1H-pyrazol-3-ol, 2-phenyl-1H-pyrazol-5-one, 1-Phenyl-1H-pyrazole-3-ol, 3-hydroxy-1-phenyl-1H-pyrazole, MKMDCEXRIPLNGJ-UHFFFAOYSA-N, 1-Phenyl-1,2-dihydro-pyrazol-3-one, 2-phenyl-3-pyrazolin-5-one, 1-phenylpyrazolone, AC1LC5KF, 1-phenyl-3-hydroxypyrazole, Cambridge id 5108106, TimTec1_002962, 1-phenyl-1H-pyrazol-3-on, MLS000717976, SCHEMBL482140, ARONIS003309, 1H-pyrazol-3-ol, 1-phenyl-, CHEMBL1481830, CTK8A0596, KS-00000TNJ, HMS1542G14, HMS2678I21, KS-00003WC6, MFCD00129721, SBB087441, STK047282, STK064115, ZINC16667309, AKOS000493219, AKOS003264143, ACN-001177, MCULE-7144074947, AK543254, BAS 00231907, DS-19228, SMR000279544, ST040166, 3H-Pyrazol-3-one, 1,2-dihydro-1-phenyl-, CS-0069824, Z57248370, F3145-2711, CID594724, ZINC00142771, 3H-Pyrazol-3-one,1,2-dihydro-1-phenyl-,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.176g/mol
Monoisotopic Mass	160.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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