AG0013B5

13745-58-9 | 1H-Pyrazole-5-carboxylic acid, 1,4-dimethyl-

AG0013B5

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CAS Number	13745-58-9
Catalog Number	AG0013B5(AGN-PC-0JU8F8)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 1,4-dimethyl-
IUPAC Name	2,4-dimethylpyrazole-3-carboxylic acid
InChI	InChI=1S/C6H8N2O2/c1-4-3-7-8(2)5(4)6(9)10/h3H,1-2H3,(H,9,10)
InChI Key	FYWSABALQBFSCW-UHFFFAOYSA-N
MDL Number	MFCD19228349
Molecular Formula	C6H8N2O2
Molecular Weight	140.1399
SMILES	O=C(C1=C(C)C=NN1C)O
Synonyms	1,4-dimethyl-1H-pyrazole-5-carboxylic acid, 13745-58-9, 1H-pyrazole-5-carboxylic acid, 1,4-dimethyl-, 2,4-dimethylpyrazole-3-carboxylic acid, 2,4-Dimethyl-2H-pyrazole-3-carboxylic acid, AC1LD6LH, SCHEMBL2212203, DTXSID90349117, FYWSABALQBFSCW-UHFFFAOYSA-N, 9632AH, MFCD19228349, STL415407, ZINC32302989, AKOS006377448, MCULE-1318304278, NE63647, AJ-85243, CS-0055081, Z2106610997, InChI=1/C6H8N2O2/c1-4-3-7-8(2)5(4)6(9)10/h3H,1-2H3,(H,9,10, C6H8N2O2, CID643150,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	140.142g/mol
Monoisotopic Mass	140.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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