AG002R5Y

25947-11-9 | 3,4-Dihydro-4-oxophthalazine-1-acetic acid

AG002R5Y

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CAS Number	25947-11-9
Catalog Number	AG002R5Y(AGN-PC-0JMJ26)
Chemical Name	3,4-Dihydro-4-oxophthalazine-1-acetic acid
IUPAC Name	2-(4-oxo-3H-phthalazin-1-yl)acetic acid
InChI	InChI=1S/C10H8N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4H,5H2,(H,12,15)(H,13,14)
InChI Key	ZEDQLIHBPGNGEC-UHFFFAOYSA-N
MDL Number	MFCD00085017
Molecular Formula	C10H8N2O3
Molecular Weight	204.1821
NSC Number	408027
SMILES	OC(=O)Cc1n[nH]c(=O)c2c1cccc2
Synonyms	25947-11-9, 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid, (4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid, 1-PHTHALAZINEACETIC ACID, 3,4-DIHYDRO-4-OXO-, 2-(4-oxo-3H-phthalazin-1-yl)acetic acid, 3,4-Dihydro-4-oxo-1-phthalazineacetic acid, 3,4-Dihydro-4-oxophthalazine-1-acetic acid, ZEDQLIHBPGNGEC-UHFFFAOYSA-N, (4-Oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid, 1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-, EC-000.1620, (1,2-Dihydro-1-Oxophthalazin-4-Yl) Acetic Acid, 2-(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)ethanoic Acid, 2-(4-oxo-3-hydrophthalazinyl)acetic acid, NSC408027, Maybridge1_004772, ChemDiv2_002589, AC1L89XK, phthalazon-4-yl-acetic acid, Oprea1_179587, MLS000551814, AC1Q752Q, AC1Q752R, SCHEMBL5717747, CHEMBL1411440, CTK1A3774, HMS555A20, TOS-BB-1259, DTXSID70324942, HMS1376F15, HMS1703A20, HMS2520G19, ALBB-010215, ZERO/005148, ZINC8652361, BBL008363, MFCD00085017, SBB010140, STK393539, STK587907, (4-hydroxyphthalazin-1-yl)acetic acid, AKOS000112004, AKOS005511970, CCG-125107, MCULE-1747279667, NSC-408027, PB30600, RP04459, SDCCGMLS-0066141.P001, VZ23220, 4-(Carboxymethyl)phthalazin-1(2H)-one, KS-000004X2, (4-oxo-3H-phthalazin-1-yl)acetic acid, AJ-72572, BAS 00096922, SMR000145739, AB0040822, DB-046798, ST4105044, 1-Phthalazineaceticacid,3,4-dihydro-4-oxo-, CS-0052406, EU-0087353, FT-0608687, Y8480, 1,2-Dihydro-1-oxophthalazin-4-ylacetic acid, EN300-07250, Q-1940, AB00993764-01, (4-Oxo-3,4-dihydrophthalazin-1-yl) acetic acid, A818099, SR-01000501956, SR-01000501956-1, W-206995, 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoic acid, BRD-K75649329-001-06-0, BRD-K75649329-001-09-4, Z56871698, 2-(4-OXO-3,4-DIHYDRO-1-PHTHALAZINYL)ACETIC ACID, 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid, AldrichCPR, 5OF, aceticacid, 2-(benzyloxy)-4-nitroaniline, C10H8N2O3, CID348621, 4-(Carboxymethyl)-1(2H)-phthalazinone, (4-oxo-3,4-dihydro-1-phthalazinyl)acetic acid,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.185g/mol
Monoisotopic Mass	204.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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