AG00AKA4

1672-63-5 | 4-Hydroxyantipyrine

AG00AKA4

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CAS Number	1672-63-5
Catalog Number	AG00AKA4(AGN-PC-0JM3AN)
Chemical Name	4-Hydroxyantipyrine
IUPAC Name	4-hydroxy-1,5-dimethyl-2-phenylpyrazol-3-one
InChI	InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3
InChI Key	SKVPTPMWXJSBTF-UHFFFAOYSA-N
MDL Number	MFCD00003143
Molecular Formula	C11H12N2O2
Molecular Weight	204.2252
NSC Number	174055
SMILES	Oc1c(C)n(n(c1=O)c1ccccc1)C
UNII	DPZ41NV570
Synonyms	4-hydroxyantipyrine, 4-Hydroxyantipyrine, 1672-63-5, Antipyrine, 4-hydroxy, 4-Hydroxy-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, UNII-DPZ41NV570, DPZ41NV570, 4-hydroxy-1,5-dimethyl-2-phenylpyrazol-3-one, SKVPTPMWXJSBTF-UHFFFAOYSA-N, 4-hydroxy-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one, 4-Hydroxyantipyrene, Prestwick_270, NSC 174055, AC1Q6ISQ, Prestwick0_000030, Prestwick1_000030, Prestwick2_000030, Prestwick3_000030, 4-Hydroxyantipyrine, 99%, AC1L40HV, BSPBio_000099, MLS002154180, SCHEMBL151171, SPBio_002020, BPBio1_000109, CHEMBL1526434, CHEBI:94641, DTXSID70168242, HMS1568E21, HMS2095E21, HMS2230K12, HMS3370O19, HMS3712E21, ZINC119268, NSC174055, STL454169, AKOS022181399, CCG-214538, NSC-174055, 4-Hydroxyantipyrine, analytical standard, NCGC00016592-01, NCGC00016592-02, NCGC00179659-01, AJ-11559, CC-19520, CS-15446, SMR001233473, CAS-1672-63-5, CS-0020302, FT-0633751, 4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone, 1,5-dimethyl-4-oxidanyl-2-phenyl-pyrazol-3-one, A811196, C-29865, SR-01000841217, J-010349, SR-01000841217-2, BRD-K49759007-001-03-6, BRD-K49759007-001-06-9, 3H-Pyrazol-3-one,2-dihydro-4-hydroxy-1,5-dimethyl-2-phenyl-, 1,2-Dihydro-4-hydroxy-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, 3H-Pyrazol-3-one, 1,2-dihydro-4-hydroxy-1,5-dimethyl-2-phenyl- (9CI), 4-hydroxy Antipyrine, CID98889, AR-1G2602, C11-H12-N2-O2, CS-O-14013, 3H-Pyrazol-3-one, 1,2-dihydro-4-hydroxy-1,5-dimethyl-2-phenyl-, 17041-60-0,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.229g/mol
Monoisotopic Mass	204.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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