AG0004JI

1014631-89-0 | 1H-Pyrazole-4-carboxylic acid, 1-(3-pyridinyl)-

AG0004JI

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CAS Number	1014631-89-0
Catalog Number	AG0004JI(AGN-PC-0A9YN7)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 1-(3-pyridinyl)-
IUPAC Name	1-pyridin-3-ylpyrazole-4-carboxylic acid
InChI	InChI=1S/C9H7N3O2/c13-9(14)7-4-11-12(6-7)8-2-1-3-10-5-8/h1-6H,(H,13,14)
InChI Key	MEKNAPSWZLHSTM-UHFFFAOYSA-N
MDL Number	MFCD18260889
Molecular Formula	C9H7N3O2
Molecular Weight	189.1708
SMILES	O=C(C1=CN(C2=CC=CN=C2)N=C1)O
Synonyms	1-(Pyridin-3-yl)-1H-pyrazole-4-carboxylic acid, 1014631-89-0, SCHEMBL1556313, DTXSID30712386, MEKNAPSWZLHSTM-UHFFFAOYSA-N, 0389AA, MFCD18260889, ZINC68590445, AKOS016012352, DS-6726, MCULE-6631635843, KS-0000054R, AK122722, DA-17923, AJ-117121, AM20050612, CS-0052801, FT-0762708, EN300-76145, 1H-Pyrazole-4-carboxylic acid, 1-(3-pyridinyl)-, F8880-1087, C9H7N3O2,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.054g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.174g/mol
Monoisotopic Mass	189.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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