AG003454

50681-25-9 | Pyridazine-4-carboxylic acid

AG003454

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CAS Number	50681-25-9
Catalog Number	AG003454(AGN-PC-0KKOD8)
Chemical Name	Pyridazine-4-carboxylic acid
EC Number	610-561-9
IUPAC Name	pyridazine-4-carboxylic acid
InChI	InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
InChI Key	JUSIWJONLKBPDU-UHFFFAOYSA-N
MDL Number	MFCD00011576
Molecular Formula	C5H4N2O2
Molecular Weight	124.0975
SMILES	N1=NC=C(C=C1)C(=O)O
Synonyms	Pyridazine-4-carboxylic Acid, 50681-25-9, 4-Pyridazinecarboxylic acid, 4-pyridazinecarboxylicacid, 4-Carboxypyridazine, MFCD00011576, CHEMBL394068, 4-Pyridazinecarboxylic acid, 95%, PubChem9501, ACMC-1ALR8, AC1MC41Z, pyridazin-4-carboxylic acid, 4-pyridazine-carboxylic acid, KSC269I2F, SCHEMBL185925, CTK1G9422, DTXSID40375502, JUSIWJONLKBPDU-UHFFFAOYSA-N, 4-Pyridazinecarboxylic acid, 97%, ZINC154089, ACT01793, BCP22416, ANW-31095, BBL101612, BDBM50216542, CP-326, SBB053242, STL555408, AKOS005259573, AC-3281, CS-W002066, MCULE-6655616758, PB17054, PS-5987, RP00727, RTC-069322, TRA0051319, VP30029, KS-000002R4, AJ-13154, AK-26044, AN-13098, BC201463, BR-26044, Q177, SC-04901, SY004681, AB0017440, AB1000174, DB-008677, ST1130935, TC-069322, TL8003361, 4CH-010240, A7516, AM20100245, FT-0600406, P1907, C-1043, MFCD00011576 (97+%), 681P259, I04-0440, J-524091, F8881-5757, Z1436472919, null, C5H4N2O2, CID2761046, Pyridazine-4-carboxylic acid, 97% - 1G 1g,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.027g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	124.099g/mol
Monoisotopic Mass	124.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

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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