AG0038PX

42972-13-4 | 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid

AG0038PX

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CAS Number	42972-13-4
Catalog Number	AG0038PX(AGN-PC-0JORF4)
Chemical Name	1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
IUPAC Name	1,4-dioxo-2,3-dihydrophthalazine-6-carboxylic acid
InChI	InChI=1S/C9H6N2O4/c12-7-5-2-1-4(9(14)15)3-6(5)8(13)11-10-7/h1-3H,(H,10,12)(H,11,13)(H,14,15)
InChI Key	FXXJJBDOKNNGQF-UHFFFAOYSA-N
MDL Number	MFCD06371360
Molecular Formula	C9H6N2O4
Molecular Weight	206.1549
NSC Number	211205
SMILES	O=C1NNC(C2=CC(=CC=C12)C(=O)O)=O
Synonyms	42972-13-4, 1,4-dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid, 1,4-dioxo-2,3-dihydrophthalazine-6-carboxylic acid, FXXJJBDOKNNGQF-UHFFFAOYSA-N, 1,4-Dioxo-1,2,3,4-tetrahydro-phthalazine-6-carboxylic acid, NSC211205, AC1L7E8F, AC1Q73RH, SCHEMBL2457419, CHEMBL3903411, CTK1D8438, DTXSID70309138, ALBB-010383, KS-00000M0H, ZINC1748317, MFCD06371360, STK664159, AKOS000118430, MCULE-1353635946, NSC-211205, AK386313, DS-12958, SC-82065, ST4125804, 1,4-dihydroxy-phthalazine-6-carboxylic acid, CS-0060667, R9148, EN300-11588, 1,4(2H,3H)-Dioxophthalazine-6-carboxylic acid, SR-01000061522, SR-01000061522-1, F2124-0590, 4-hydroxy-1-oxo-1,2-dihydrophthalazine-6-carboxylic acid, 6-Phthalazinecarboxylicacid, 3,4-dihydro-1-hydroxy-4-oxo-, A3993/0170153, 6-Phthalazinecarboxylic acid, 1,2,3,4-tetrahydro-1,4-dioxo-, 6-Phthalazinecarboxylic acid, 3,4-dihydro-1-hydroxy-4-oxo-, 1 pound not4-dioxo-1 pound not2 pound not3 pound not4-tetrahydrophthalazine-6-carboxyl, 6-phthalazinecarboxylic acid, 1,2,3,4-tetrahydro-1,4-dioxo-, ammonium salt, CID309056, ACN-040567,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.033g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	206.157g/mol
Monoisotopic Mass	206.033g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	95.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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