AG005O4E

68775-82-6 | (4-Methyl-1-oxophthalazin-2(1H)-yl)acetic acid

AG005O4E

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CAS Number	68775-82-6
Catalog Number	AG005O4E(AGN-PC-0JWJ56)
Chemical Name	(4-Methyl-1-oxophthalazin-2(1H)-yl)acetic acid
IUPAC Name	2-(4-methyl-1-oxophthalazin-2-yl)acetic acid
InChI	InChI=1S/C11H10N2O3/c1-7-8-4-2-3-5-9(8)11(16)13(12-7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChI Key	SAVCCTSOVBCYPG-UHFFFAOYSA-N
MDL Number	MFCD00450374
Molecular Formula	C11H10N2O3
Molecular Weight	218.2087
SMILES	N1(CC(O)=O)C(=O)C2C=CC=CC=2C(C)=N1
Synonyms	68775-82-6, (4-methyl-1-oxophthalazin-2(1H)-yl)acetic acid, 2-(4-Methyl-1-oxophthalazin-2(1H)-yl)acetic acid, 2-(4-Methyl-1-Oxo-1,2-Dihydrophthalazin-2-Yl)Acetic Acid, (4-methyl-1-oxo-1h-phthalazin-2-yl)acetic acid, (4-Methyl-1-oxo-1H-phthalazin-2-yl)-acetic acid, 2-(4-methyl-1-oxo-2-hydrophthalazin-2-yl)acetic acid, MLS000523294, AC1LGDAP, AC1Q6DVY, CBMicro_014991, 2(1h)-phthalazineacetic acid,4-methyl-1-oxo-, AC1Q2PT2, AC1Q2PT3, Oprea1_068710, Oprea1_173721, SCHEMBL6885992, CHEMBL1413392, CTK5C8442, DTXSID40356073, HMS2410C08, HMS3451G20, ZINC334988, SMSF0005324, 0621AC, MFCD00450374, SBB085412, STK397109, AKOS000301236, CB14969, CCG-151069, MCULE-5561438959, AJ-19703, BAS 00370447, SMR000123272, BIM-0014925.P001, AB1008742, DB-030400, TR-040121, (4-methyl-1-oxophthalazin-2-yl)acetic acid, FT-0763819, ST50225670, 2-carboxymethyl-4-methyl-1(2h)-phthalazinone, EN300-28432, 2-(4-methyl-1-oxophthalazin-2-yl)acetic acid, W-6917, (4-Methyl-1-oxo-2(1H)-phthalazinyl)acetic acid, AG-690/09396051, (4-methyl-1-oxo-1 h-phthalazin-2-yl)-acetic acid, Z235348073, (4-Methyl-1-oxophthalazin-2(1H)-yl)acetic acid, AldrichCPR, null, C11H10N2O3, AR-1C6091, CID819380, (4-METHYL-1-OXOPHTHALAZIN-2 ACETICACID, 2-(4-Methyl-1-oxophthalazin-2(1H)-yl)aceticacid, 69198-10-3,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.069g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.212g/mol
Monoisotopic Mass	218.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

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