AG0059VM

75844-41-6 | 5-Methyl-4-quinazolone

AG0059VM

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CAS Number	75844-41-6
Catalog Number	AG0059VM(AGN-PC-00H7XY)
Chemical Name	5-Methyl-4-quinazolone
IUPAC Name	5-methyl-3H-quinazolin-4-one
InChI	InChI=1S/C9H8N2O/c1-6-3-2-4-7-8(6)9(12)11-5-10-7/h2-5H,1H3,(H,10,11,12)
InChI Key	PXDDCBOOHGDLBL-UHFFFAOYSA-N
MDL Number	MFCD08436076
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
SMILES	O=C1N=CNC2=C1C(C)=CC=C2
Synonyms	5-Methyl-4-quinazolone, 75844-41-6, 5-METHYLQUINAZOLIN-4(3H)-ONE, 5-methyl-4-quinazolinol, 4(3H)-Quinazolinone, 5-methyl-, 5-Methylquinazolin-4(1H)-one, 5-METHYLQUINAZOLIN-4-OL, CHEMBL1949842, AK-38627, 5-methyl-1h-quinazolin-4-one, AN-584/43303033, 4-hydroxy-5-methylquinazoline, 5-Methyl4-[3H]quinazolinone, SCHEMBL1013192, 5-Methyl-4-[3H]quinazolinone, 5-Methylquinazoline-4(3H)-one, CTK5E2085, CTK6C1865, 4(3H)-Quinazolinone,5-methyl-, DTXSID80474260, PXDDCBOOHGDLBL-UHFFFAOYSA-N, ZINC8672877, 1782AC, ANW-53120, BDBM50365136, MFCD08436076, SBB087427, AKOS006284894, AKOS015999727, 5-methyl-3,4-dihydroquinazolin-4-one, 5-METHYL-4(3H)-QUINAZOLINONE, CM-1748, MB06116, AJ-57891, AS-41834, AX8163338, DB-075028, CS-0084754, FT-0703028, C9H8N2O, CID11839192, 1-Boc-3-fluoropiperidine-3-carboxylicAcid, N/A,

Complexity	225
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	0
Topological Polar Surface Area	41.5A^2
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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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