AG003U2L

13602-12-5 | Pyridine-4-carboxylic acid N-oxide

AG003U2L

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CAS Number	13602-12-5
Catalog Number	AG003U2L(AGN-PC-00GQTO)
Chemical Name	Pyridine-4-carboxylic acid N-oxide
EC Number	237-086-6
IUPAC Name	1-oxidopyridin-1-ium-4-carboxylic acid
InChI	InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H,8,9)
InChI Key	QCWTWMJMLSKQCJ-UHFFFAOYSA-N
MDL Number	MFCD00006209
Molecular Formula	C6H5NO3
Molecular Weight	139.1088
NSC Number	63044
SMILES	[O-][N+]1=CC=C(C(O)=O)C=C1
Synonyms	13602-12-5, ISONICOTINIC ACID N-OXIDE, 4-Carboxypyridine 1-oxide, Pyridine-4-carboxylic Acid N-Oxide, pyridine-4-carboxylic acid 1-oxide, 4-Pyridinecarboxylic acid 1-oxide, 4-Pyridinecarboxylic acid, 1-oxide, 4-carboxypyridin-1-ium-1-olate, C6H5NO3, Isonicotinic acid 1-oxide, MFCD00006209, 1-hydroxypyridine-4-carboxylic acid, Pyridin-N-oxide-4-carboxylic acid, EINECS 237-086-6, NSC 63044, AC1L1AH6, NCIOpen2_000126, 4-Carboxylatopyridine 1-oxide, ACMC-209c50, AC1Q733Z, SCHEMBL1270758, DTXSID6065557, CTK0H7690, Isonicotinic acid N-oxide, 99%, 4-pyridinecarboxylic acid-1-oxide, QCWTWMJMLSKQCJ-UHFFFAOYSA-N, 4-Pyridinecarboxylicacid, 1-oxide, Pyridine-4-carboxylic acid1-oxide, ZINC406920, pyridine-4-carboxylic acid-N-oxide, BCP10688, NSC63044, STR06379, ANW-20002, NSC-63044, SBB052968, STL002622, AKOS000120190, RP17938, VP14988, 1-oxidopyridin-1-ium-4-carboxylic acid, I483, SY112139, DB-042327, RT-001188, I0500, ST51016234, MFCD00006209 (98%), J-514870, J-640109, J-640413, J-800111, F8881-3256, methionyl acetate, (2-Pyrimidylthio)acetic acid, C6-H5-N-O3, CID26130,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.027g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.11g/mol
Monoisotopic Mass	139.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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